SCHEMBL7464954

SCHEMBL7464954

N#Cc1ccc(Cc2ncc(CCCC3CCN(c4ccccc4)C3=O)[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.45
FNTB P49356 13/20 0.45
PGGT1B P53609 7/20 0.45
ROCK2 O75116 4/20 0.43
BRS3 P32247 2/20 0.41
KCNH2 Q12809 2/20 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
Hydrochloric Acid SCHEMBL7461836 0.94 FNTA (0.41) FNTAFNTBPGGT1BROCK2BRS3
SCHEMBL7466881 0.89 BRS3 (0.48) FNTAFNTBPGGT1BROCK2BRS3
Hydrochloric Acid SCHEMBL8301974 0.84 FNTA (0.42) FNTAFNTBPGGT1BROCK2BRS3
SCHEMBL8300491 0.83 FNTA (0.41) FNTAFNTBPGGT1BROCK2BRS3
SCHEMBL7459728 0.78 FNTA (0.42) FNTAFNTBPGGT1BBRS3
SCHEMBL7927442 0.78 FNTA (0.46) FNTAFNTBPGGT1BKCNH2
Hydrochloric Acid SCHEMBL7452346 0.77 FNTA (0.42) FNTAFNTBPGGT1BBRS3
SCHEMBL7936033 0.77 KCNH2 (0.48) FNTAFNTBPGGT1BKCNH2
SCHEMBL7527887 0.77 FNTA (0.71) FNTAFNTBPGGT1BKCNH2
Hydrochloric Acid SCHEMBL7830292 0.77 CHRM4 (0.42) BRS3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891360-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-05-15 EP claimed
EP-0891360-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP claimed
WO-1997036900-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO claimed