SCHEMBL7747665

SCHEMBL7747665

N#Cc1ccc(CC2CN(C(=O)C(C3CCCCC3)C3CCCCC3)CCN2Cc2cnc[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 11/20 0.43
FNTB P49356 11/20 0.43
HRH3 Q9Y5N1 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
CYP19A1 P11511 2/20 0.39
CYP2D6 P10635 3/20 0.38
HRAS P01112 1/20 0.38
KRAS P01116 1/20 0.38
PGGT1B P53609 1/20 0.38

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
SCHEMBL7747638 0.94 CYP2D6 (0.41) FNTAFNTBHRH3HRH4CYP19A1
SCHEMBL7743244 0.80 GPR119 (0.49) FNTAFNTBHRH3
SCHEMBL7747657 0.80 FNTA (0.42) FNTAFNTBHRH3HRH4CYP19A1
SCHEMBL7747674 0.80 FNTA (0.45) FNTAFNTBHRH3CYP2D6HRAS
SCHEMBL7743208 0.79 FNTA (0.47) FNTAFNTBHRH3HRASKRAS
SCHEMBL7162634 0.79 FNTA (0.52) FNTAFNTBHRASKRASPGGT1B
SCHEMBL7750454 0.79 FNTA (0.42) FNTAFNTBHRH3CYP2D6HRAS
SCHEMBL7748858 0.77 FNTA (0.41) FNTAFNTBHRH3CYP2D6HRAS
SCHEMBL7743228 0.77 FNTA (0.43) FNTAFNTBHRH3HRASKRAS
SCHEMBL7467292 0.76 FNTA (0.43) FNTAFNTBPGGT1B

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 1 patent. 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