SCHEMBL3518402

SCHEMBL3518402

COc1cccc(C2(C(=O)N3CCN(C(Cc4ccc(C#N)cc4)c4cnc[nH]4)CC3)CCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.38
OPRK1 P41145 1/20 0.37
ALDH1A1 P00352 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
KIT P10721 1/20 0.35
MC4R P32245 1/20 0.35
MC5R P33032 1/20 0.35
MC3R P41968 1/20 0.35
MC1R Q01726 1/20 0.35
TRPA1 O75762 1/20 0.35
FPR2 P25090 2/20 0.35
FPR1 P21462 1/20 0.35
NPY1R P25929 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.34
EP300 Q09472 1/20 0.34
CREBBP Q92793 1/20 0.34

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
SCHEMBL3517526 0.92 FNTA (0.37) OPRD1ALDH1A1FNTAFNTBPGGT1B
SCHEMBL7555138 0.90 CYP3A4 (0.44) ALDH1A1MC4RMC5RMC3RMC1R
SCHEMBL3515229 0.88 MEN1 (0.42) ALDH1A1MC4RMC5RMC3RMC1R
SCHEMBL3517536 0.86 PIN1 (0.41) FNTAFNTBPGGT1B
SCHEMBL7186697 0.82 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL7560886 0.78 CYP11B1 (0.33) FNTAFNTBPGGT1BSMN1; SMN2
SCHEMBL7156162 0.76 CYP19A1 (0.42) HRH3
SCHEMBL3501100 0.76 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL3504291 0.75 FNTA (0.57) FNTAFNTBPGGT1B
SCHEMBL7486094 0.74 PRKAB2 (0.37) ALDH1A1CYP3A4USP2CYP1A2CYP2C9

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
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO claimed
WO-2000059930-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-10-12 WO claimed
EP-2155197-A2 TREATMENT OF LYSOSOMAL STORAGE DISEASES Link Medicine Corporation (US) 2010-02-24 EP disclosed
WO-2008112525-A2 TREATMENT OF LYSOSOMAL STORAGE DISEASES LINK MEDICINE CORPORATION (US) 2008-09-18 WO disclosed
EP-1744751-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-01-24 EP disclosed
WO-2005089502-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO disclosed
EP-1165082-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 EP disclosed
EP-1165082-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-01-02 EP disclosed
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO disclosed
WO-2000051611-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 WO disclosed