SCHEMBL18924563

SCHEMBL18924563

COc1ccc(-c2ccc(C(=O)N(C)C3CCCC3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
TRPM8 Q7Z2W7 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
DPP4 P27487 1/20 0.49
DPP8 Q6V1X1 1/20 0.49
DPP9 Q86TI2 1/20 0.49
SLC6A9 P48067 2/20 0.49
GPR119 Q8TDV5 1/20 0.49
S1PR1 P21453 1/20 0.49
S1PR3 Q99500 1/20 0.49
POLB P06746 1/20 0.49
FASN P49327 1/20 0.47

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
SCHEMBL11406234 0.94 KMT2A (0.64) MCHR1MEN1KMT2ANPC1RAB9A
SCHEMBL10454995 0.94 KMT2A (0.64) MCHR1MEN1KMT2ANPC1RAB9A
SCHEMBL18924561 0.85 MCHR1 (0.64) MCHR1MEN1KMT2ANPC1RAB9A
SCHEMBL13605546 0.84 CSNK2A1 (0.55) MCHR1MEN1KMT2ATRPM8ALDH1A1
SCHEMBL18924431 0.84 MAPK14 (0.53) MCHR1MEN1KMT2ANPC1RAB9A
SCHEMBL18924339 0.83 MEN1 (0.53) MCHR1MEN1KMT2ANPC1RAB9A
SCHEMBL18924383 0.83 ALDH1A1 (0.53) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL18924387 0.82 MCHR1 (0.56) MCHR1MEN1KMT2ALMNAMAPT
SCHEMBL24494256 0.82 DPP4 (0.52) MCHR1MEN1KMT2ANPC1RAB9A
SCHEMBL28628582 0.82 MCHR1 (0.50) MCHR1MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3010916-B1 1,3-DIAMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2017-09-27 EP disclosed
US-9670142-B2 1,3-diaminocyclopentane carboxamide derivatives MERCK PATENT GMBH (DE) 2017-06-06 US disclosed