SCHEMBL8097736

SCHEMBL8097736

CC(=O)N(CCc1cncn1Cc1ccc(C#N)cc1)C[C@H]1CCCN(CC(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 19/20 0.47
FNTB P49356 19/20 0.47
PGGT1B P53609 15/20 0.47
KCNH2 Q12809 3/20 0.47
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46

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
SCHEMBL8441440 1.00 FNTA (0.47) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8088745 0.87 FNTA (0.47) FNTAFNTBPGGT1BKCNH2
SCHEMBL8440507 0.87 FNTA (0.47) FNTAFNTBPGGT1BKCNH2
SCHEMBL8095345 0.86 FNTA (0.45) FNTAFNTBPGGT1B
SCHEMBL8444571 0.86 FNTA (0.45) FNTAFNTBPGGT1B
SCHEMBL8431156 0.84 FNTA (0.47) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8098304 0.84 FNTA (0.47) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8431360 0.83 FNTA (0.54) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8097470 0.83 FNTA (0.54) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8103764 0.81 FNTA (0.49) FNTAFNTBPGGT1BKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862435-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-03 EP claimed
EP-0862435-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-09-09 EP claimed
WO-1997018813-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-05-29 WO claimed
US-6127366-A ANTICARCINOGENIC OR ANTITUMOR AGENTS MERCK & CO., INC. (US) 2000-10-03 US disclosed
EP-0862435-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-03 EP disclosed
EP-0862435-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-09-09 EP disclosed
WO-1997018813-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-05-29 WO disclosed