SCHEMBL8097436

SCHEMBL8097436

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

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 15/20 0.67
FNTB P49356 15/20 0.67
PGGT1B P53609 12/20 0.67
KCNH2 Q12809 4/20 0.67
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.48
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
SCHEMBL8437476 1.00 FNTA (0.67) FNTAFNTBPGGT1BKCNH2ALDH1A1
SCHEMBL8088941 0.87 KCNH2 (0.59) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8097856 0.87 KCNH2 (0.59) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8434426 0.85 FNTA (0.51) FNTAFNTBPGGT1BKCNH2ALDH1A1
SCHEMBL5298259 0.85 FNTA (0.51) FNTAFNTBPGGT1BKCNH2ALDH1A1
SCHEMBL8103727 0.83 FNTA (0.55) FNTAFNTBPGGT1BKCNH2ALDH1A1
SCHEMBL8441677 0.83 FNTA (0.55) FNTAFNTBPGGT1BKCNH2ALDH1A1
SCHEMBL8097432 0.83 FNTA (0.60) FNTAFNTBPGGT1BKCNH2ALDH1A1
SCHEMBL8417257 0.83 FNTA (0.52) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8104348 0.83 FNTA (0.52) FNTAFNTBPGGT1BCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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