SCHEMBL8095394

SCHEMBL8095394

N#Cc1ccc(Cn2cncc2CCNC(=O)C2CCCN(Cc3ccccc3)C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 19/20 0.60
FNTB P49356 19/20 0.60
PGGT1B P53609 18/20 0.60
KCNH2 Q12809 1/20 0.55
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52

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
SCHEMBL8095374 0.94 FNTA (0.61) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8088609 0.94 FNTA (0.61) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8425942 0.94 FNTA (0.61) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8097383 0.93 FNTA (0.58) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8531147 0.93 FNTA (0.58) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8088941 0.92 KCNH2 (0.59) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8097856 0.92 KCNH2 (0.59) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8088444 0.92 FNTA (0.58) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8088212 0.92 FNTA (0.51) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8530784 0.92 FNTA (0.51) 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 4 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
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