SCHEMBL7326431

SCHEMBL7326431

O=[C]N(CCc1ccccc1)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TAAR1 Q96RJ0 1/20 0.47
AOC3 Q16853 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
KMT2A Q03164 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CNR2 P34972 1/20 0.41
TSHR P16473 1/20 0.40
ALOX5 P09917 2/20 0.40

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
SCHEMBL2087539 0.90 TAAR1 (0.52) ALDH1A1TAAR1AOC3CYP1A2CYP3A4
SCHEMBL5540856 0.89 SIGMAR1 (0.47) ALDH1A1AOC3OPRM1SIGMAR1ALOX5
SCHEMBL5537797 0.87 SIGMAR1 (0.54) ALDH1A1OPRM1SIGMAR1ALOX5
SCHEMBL5542599 0.85 SIGMAR1 (0.57) ALDH1A1SIGMAR1ALOX5
SCHEMBL5542089 0.85 SIGMAR1 (0.57) ALDH1A1SIGMAR1ALOX5
SCHEMBL26801 0.85 ALDH1A1 (0.60) ALDH1A1AOC3CYP3A4CYP2C19NPC1
SCHEMBL8857301 0.82 ALDH1A1 (0.48) ALDH1A1AOC3CYP3A4OPRM1OPRD1
SCHEMBL7397098 0.82 AOC3 (0.53) TAAR1AOC3OPRM1OPRD1OPRK1
SCHEMBL17333285 0.81 DRD3 (0.49) TAAR1AOC3OPRM1OPRD1OPRK1
SCHEMBL7272835 0.79 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TDP1TSHR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2478981-B1 SILVER-(CONJUGATED COMPOUND) COMPLEX SUMITOMO CHEMICAL CO (JP) 2020-12-23 EP disclosed
US-9704612-B2 Composition of silver-conjugated compound composite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-11 US disclosed
US-9412487-B2 Silver-(conjugated compound) composite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-09 US disclosed
US-20140001422-A1 COMPOSITION OF SILVER-CONJUGATED COMPOUND COMPOSITE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-02 US disclosed
EP-2478981-A1 SILVER-(CONJUGATED COMPOUND) COMPLEX Sumitomo Chemical Co., Ltd (JP) 2012-07-25 EP disclosed
US-20120168693-A1 SILVER-(CONJUGATED COMPOUND) COMPOSITE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-05 US disclosed
US-6140338-A FOR TREATING ACUTE INFLAMMATORY DISEASES, CHRONIC INFLAMMATORY DISEASES, ACQUIRED IMMUNE DEFICIENCY SYNDROME, CANCER, ISCHEMIC REFLOW DISORDER AND/OR ARTERIOSCLEROSIS BANYU PHARMACEUTICAL, CO., LTD. (JP) 2000-10-31 US disclosed
EP-0916668-A1 CHEMOKINE RECEPTOR ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-05-19 EP disclosed
EP-0292800-A2 Amino acid derivatives MERCK PATENT GmbH (DE) 1988-11-30 EP disclosed
EP-0249096-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1987-12-16 EP disclosed