SCHEMBL8097462

SCHEMBL8097462

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.49
FNTA P49354 18/20 0.49
FNTB P49356 18/20 0.49
PGGT1B P53609 17/20 0.49
CYP3A4 P08684 1/20 0.48
NRAS P01111 1/20 0.44
HRAS P01112 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
SCHEMBL8444323 1.00 KCNH2 (0.49) KCNH2FNTAFNTBPGGT1BCYP3A4
SCHEMBL446562 0.94 FNTA (0.54) KCNH2FNTAFNTBPGGT1B
SCHEMBL8095475 0.94 FNTA (0.51) KCNH2FNTAFNTBPGGT1B
SCHEMBL8433745 0.94 FNTA (0.51) KCNH2FNTAFNTBPGGT1B
SCHEMBL8534261 0.93 FNTA (0.48) KCNH2FNTAFNTBPGGT1B
SCHEMBL8095893 0.93 FNTA (0.48) KCNH2FNTAFNTBPGGT1B
SCHEMBL8426008 0.92 FNTA (0.49) KCNH2FNTAFNTBPGGT1BCYP3A4
SCHEMBL8095566 0.92 FNTA (0.49) KCNH2FNTAFNTBPGGT1BCYP3A4
SCHEMBL8088419 0.91 FNTA (0.47) KCNH2FNTAFNTBPGGT1BCYP3A4
SCHEMBL8436084 0.91 FNTA (0.47) KCNH2FNTAFNTBPGGT1BCYP3A4

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