SCHEMBL8095566

SCHEMBL8095566

N#Cc1ccc(Cn2cncc2CCNC(=O)[C@H]2CCCN(CC(c3ccccc3)c3cccc(CN)c3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 18/20 0.49
FNTB P49356 18/20 0.49
PGGT1B P53609 16/20 0.49
KCNH2 Q12809 4/20 0.46
CYP3A4 P08684 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42

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
SCHEMBL8426008 1.00 FNTA (0.49) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL446562 0.93 FNTA (0.54) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8097462 0.92 KCNH2 (0.49) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8444323 0.92 KCNH2 (0.49) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8095893 0.91 FNTA (0.48) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8534261 0.91 FNTA (0.48) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8433745 0.90 FNTA (0.51) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8095475 0.90 FNTA (0.51) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8088419 0.90 FNTA (0.47) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8436084 0.90 FNTA (0.47) FNTAFNTBPGGT1BKCNH2CYP3A4

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 8 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
US-5817678-A IMIDAZOLE-CONTAINING PIPERIDINE DERIVATIVES, PEPTIDEMIMETIC MERCK & CO., INC. (US) 1998-10-06 US 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