SCHEMBL8088941

SCHEMBL8088941

N#Cc1ccc(Cn2cncc2CCNC(=O)[C@H]2CCCN(Cc3cccc(Cl)c3)C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.59
FNTA P49354 15/20 0.58
FNTB P49356 15/20 0.58
PGGT1B P53609 11/20 0.58
CYP3A4 P08684 1/20 0.58
NRAS P01111 1/20 0.48
HRAS P01112 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47

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
SCHEMBL8097856 1.00 KCNH2 (0.59) KCNH2FNTAFNTBPGGT1BCYP3A4
SCHEMBL8098295 0.93 FNTA (0.49) KCNH2FNTAFNTBPGGT1BCYP3A4
SCHEMBL8442897 0.93 FNTA (0.49) KCNH2FNTAFNTBPGGT1BCYP3A4
SCHEMBL8095394 0.92 FNTA (0.60) KCNH2FNTAFNTBPGGT1BCYP11B1
SCHEMBL8530784 0.92 FNTA (0.51) KCNH2FNTAFNTBPGGT1BCYP3A4
SCHEMBL8088212 0.92 FNTA (0.51) KCNH2FNTAFNTBPGGT1BCYP3A4
SCHEMBL8095370 0.90 FNTA (0.49) KCNH2FNTAFNTBPGGT1BCYP3A4
SCHEMBL8095356 0.90 CYP11B1 (0.51) KCNH2FNTAFNTBPGGT1BCYP3A4
SCHEMBL8428073 0.90 CYP11B1 (0.51) KCNH2FNTAFNTBPGGT1BCYP3A4
SCHEMBL8443240 0.90 FNTA (0.49) 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 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