SCHEMBL7936758

SCHEMBL7936758

N#Cc1ccc(Cn2cncc2CN(Cc2cccc(Cl)c2)[C@@H]2CCNC2=O)cc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 19/20 0.52
FNTB P49356 19/20 0.52
PGGT1B P53609 14/20 0.52
KCNH2 Q12809 3/20 0.48
CYP3A4 P08684 1/20 0.44

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
SCHEMBL7936756 1.00 FNTA (0.52) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7937452 0.88 FNTA (0.47) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7927454 0.87 FNTA (0.55) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7939518 0.87 FNTA (0.55) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7927450 0.87 FNTA (0.55) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7937359 0.85 FNTA (0.51) FNTAFNTBPGGT1BKCNH2CYP3A4
Hydrochloric Acid SCHEMBL7927511 0.81 FNTA (0.45) FNTAFNTBPGGT1BKCNH2CYP3A4
Hydrochloric Acid SCHEMBL7936936 0.77 FNTA (0.56) FNTAFNTBPGGT1BKCNH2
SCHEMBL7936730 0.74 FNTA (0.56) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7933783 0.74 FNTA (0.39) 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-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed