SCHEMBL7747657

SCHEMBL7747657

CC(C)(C)C1CCCCC1OC(=O)N1CCN(Cc2cnc[nH]2)C(Cc2ccc(C#N)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.42
FNTB P49356 13/20 0.42
GPR119 Q8TDV5 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
CYP2D6 P10635 1/20 0.34
HRAS P01112 1/20 0.34
KRAS P01116 1/20 0.34
PGGT1B P53609 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
CYP19A1 P11511 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
SCHEMBL7743244 0.86 GPR119 (0.49) FNTAFNTBGPR119HRH3
SCHEMBL7743208 0.84 FNTA (0.47) FNTAFNTBGPR119HRH3HRAS
SCHEMBL7748858 0.84 FNTA (0.41) FNTAFNTBHRH3CYP2D6HRAS
SCHEMBL7750454 0.83 FNTA (0.42) FNTAFNTBGPR119HRH3CYP2D6
SCHEMBL7743228 0.83 FNTA (0.43) FNTAFNTBGPR119HRH3HRAS
SCHEMBL7747674 0.81 FNTA (0.45) FNTAFNTBGPR119HRH3CYP2D6
SCHEMBL7747665 0.80 FNTA (0.43) FNTAFNTBHRH3CYP2D6HRAS
SCHEMBL7162634 0.80 FNTA (0.52) FNTAFNTBHRASKRASPGGT1B
SCHEMBL7128883 0.76 HRH3 (0.34) FNTAFNTBGPR119HRH3CYP2D6
SCHEMBL7747638 0.75 CYP2D6 (0.41) FNTAFNTBHRH3CYP2D6HRH4

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