SCHEMBL7748858

SCHEMBL7748858

CC1(C)CCCC(OC(=O)N2CCN(Cc3cnc[nH]3)C(Cc3ccc(C#N)cc3)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 14/20 0.41
FNTB P49356 14/20 0.41
HRH3 Q9Y5N1 1/20 0.35
OPRM1 P35372 2/20 0.34
OPRK1 P41145 1/20 0.34
CYP2D6 P10635 1/20 0.34
HRAS P01112 1/20 0.33
KRAS P01116 1/20 0.33
PGGT1B P53609 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL7743228 0.91 FNTA (0.43) FNTAFNTBHRH3HRASKRAS
SCHEMBL7750454 0.87 FNTA (0.42) FNTAFNTBHRH3OPRM1OPRK1
SCHEMBL7747657 0.84 FNTA (0.42) FNTAFNTBHRH3CYP2D6HRAS
SCHEMBL7743244 0.81 GPR119 (0.49) FNTAFNTBHRH3
SCHEMBL7747674 0.80 FNTA (0.45) FNTAFNTBHRH3OPRM1OPRK1
SCHEMBL7743208 0.80 FNTA (0.47) FNTAFNTBHRH3HRASKRAS
SCHEMBL7162634 0.78 FNTA (0.52) FNTAFNTBHRASKRASPGGT1B
SCHEMBL7747665 0.77 FNTA (0.43) FNTAFNTBHRH3CYP2D6HRAS
SCHEMBL7128974 0.77 HRH3 (0.37) HRH3CYP2D6ALDH1A1CYP3A4MAPK1
SCHEMBL7508679 0.74 GPR119 (0.33) FNTAFNTBHRH3ALDH1A1CYP3A4

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
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO claimed
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO disclosed