SCHEMBL891670

SCHEMBL891670

[CH2]CCCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.60
GRIN3B O60391 4/20 0.60
GRIN1 Q05586 4/20 0.60
GRIN2A Q12879 4/20 0.60
GRIN2B Q13224 4/20 0.60
GRIN2C Q14957 4/20 0.60
GRIN3A Q8TCU5 4/20 0.60
EPHX2 P34913 6/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
GBA1 P04062 2/20 0.36
GBA2 Q9HCG7 2/20 0.36
PKM P14618 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5251164 0.93 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8413718 0.91 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL58465 0.91 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2757 0.84 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10957944 0.84 GRIN2D (0.76) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1425463 0.82 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL140991 0.78 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11697939 0.78 GRIN2D (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1758688 0.77 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL891808 0.76 GRIN2D (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008009963-A2 PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 2008-01-24 WO claimed
CN-116710465-A Adenosine derivatives and pharmaceutical compositions containing the same 腾盛博药生物科技有限公司 2023-09-05 CN disclosed
EP-3849992-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2021-07-21 EP disclosed
WO-2020051686-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN (SUZHOU) PHARMA TECH CO. LTD. (CN) 2020-03-19 WO disclosed
CN-103443080-B There is the sulfonamide compounds of TRPM8 antagonistic activity 田边三菱制药株式会社 2016-10-12 CN disclosed
US-9312127-B2 Method for producing semiconductor apparatus substrate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-04-12 US disclosed
US-20160064220-A1 METHOD FOR PRODUCING SEMICONDUCTOR APPARATUS SUBSTRATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-03-03 US disclosed
US-9261783-B2 Fluorinated ester monomer, making method, fluorinated ester polymer, and difluorohydroxycarboxylic acid SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-02-16 US disclosed
US-8933251-B2 Fluorinated monomer of cyclic acetal structure, polymer, resist protective coating composition, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-01-13 US disclosed
US-8791288-B2 Acid-labile ester monomer having spirocyclic structure, polymer, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-07-29 US disclosed
US-6335327-B1 Benzoheterocyclic derivatives OTSUKA PHARMACEUTICALS CO., LTD. (JP) 2002-01-01 US disclosed
CN-1313280-A Benzheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 2001-09-19 CN disclosed
US-6096736-A Benzazepine derivatives with vasopressin agonistic activity OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
CN-1209121-A Benzazepine Derivatives OTSUKA PHARMA CO LTD (JP) 1999-02-24 CN disclosed
EP-0877736-A1 BENZAZEPINE DERIVATIVES WITH VASOPRESSIN AGONISTIC ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-11-18 EP disclosed
WO-1997022591-A1 BENZAZEPINE DERIVATIVES WITH VASOPRESSIN AGONISTIC ACTIVITY OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-06-26 WO disclosed
CN-1150799-A Benzoheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 1997-05-28 CN disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 WO disclosed