SCHEMBL8097470

SCHEMBL8097470

N#Cc1ccc(Cn2cncc2CCNC[C@@H]2CCCN(CC(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 18/20 0.54
FNTB P49356 18/20 0.54
PGGT1B P53609 15/20 0.54
KCNH2 Q12809 1/20 0.47
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 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
SCHEMBL8431360 1.00 FNTA (0.54) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8088215 0.87 FNTA (0.48) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8088216 0.87 FNTA (0.48) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL446562 0.85 FNTA (0.54) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8103764 0.84 FNTA (0.49) FNTAFNTBPGGT1BKCNH2
SCHEMBL8088745 0.84 FNTA (0.47) FNTAFNTBPGGT1BKCNH2
SCHEMBL8440507 0.84 FNTA (0.47) FNTAFNTBPGGT1BKCNH2
SCHEMBL8103765 0.84 FNTA (0.49) FNTAFNTBPGGT1BKCNH2
SCHEMBL7083863 0.83 CYP11B1 (0.58) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8097467 0.83 CCR2 (0.45) FNTAFNTBPGGT1BKCNH2CYP11B1

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