SCHEMBL9255015

SCHEMBL9255015

CC(=O)N1CCC(CC(=O)c2ccc(N3CCCC3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 1/20 0.46
TP53BP1 Q12888 1/20 0.46
L3MBTL4 Q8NA19 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CASP6 P55212 1/20 0.46
GFER P55789 1/20 0.46
DRD2 P14416 2/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL9253376 0.99 HDAC1 (0.45) MBTD1TP53BP1L3MBTL4L3MBTL3L3MBTL1
SCHEMBL9246574 0.87 HDAC1 (0.47) MBTD1TP53BP1L3MBTL4L3MBTL3L3MBTL1
SCHEMBL11101318 0.83 SIGMAR1 (0.49) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL11096282 0.82 ALDH1A1 (0.59) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL8119451 0.82 CASP6 (0.49) CASP6GFERDRD2HTR2AHTR2C
SCHEMBL11095799 0.82 ALDH1A1 (0.55) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9253569 0.82 DRD2 (0.66) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9250981 0.81 ALDH1A1 (0.46) L3MBTL1DRD2HTR2AHTR2CHTR2B
SCHEMBL11095969 0.80 POLB (0.50) L3MBTL1MEN1ALDH1A1MAPTKMT2A
SCHEMBL9252290 0.80 SIGMAR1 (0.46) DRD2HTR2AHTR2CHTR2BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5441967-A Treating cerebral edema; anticholinesterase or brain function-improving agent TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-08-15 US disclosed
US-5294625-A 1-benzyl,4-((4-dialkylaminophenyl)carbonyl)piperidines TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-15 US disclosed
EP-0378207-B1 CYCLIC AMINE COMPOUNDS AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 1993-09-22 EP disclosed
US-5177087-A Cerebral edema, cholinesterase inhibitor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-05 US disclosed
EP-0378207-A1 Cyclic amine compounds and their use Takeda Chemical Industries, Ltd. (JP) 1990-07-18 EP disclosed