SCHEMBL6633403

SCHEMBL6633403

CC(=O)N1Cc2cc(-c3ccccc3)ccc2NC[C@H]1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.45
FNTB P49356 8/20 0.45
ABCB1 P08183 4/20 0.44
HSD17B3 P37058 2/20 0.42
BRD4 O60885 1/20 0.39
HDAC8 Q9BY41 1/20 0.37
AGTR2 P50052 1/20 0.36
BRS3 P32247 1/20 0.36

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
SCHEMBL6634139 1.00 FNTA (0.45) FNTAFNTBABCB1HSD17B3BRD4
SCHEMBL6617952 0.94 FNTA (0.46) FNTAFNTBABCB1HSD17B3
SCHEMBL6632636 0.87 FNTA (0.56) FNTAFNTBABCB1HSD17B3BRD4
SCHEMBL6615989 0.84 FNTA (0.39) FNTAFNTBABCB1HSD17B3
SCHEMBL6635535 0.84 FNTA (0.39) FNTAFNTBABCB1HSD17B3
SCHEMBL6637321 0.80 FNTA (0.56) FNTAFNTB
SCHEMBL6637318 0.80 FNTA (0.56) FNTAFNTB
SCHEMBL6615296 0.76 FNTA (0.46) FNTAFNTBABCB1HSD17B3BRD4
SCHEMBL6615857 0.76 FNTA (0.45) FNTAFNTBABCB1HSD17B3BRD4
SCHEMBL6631642 0.75 FNTA (0.36) FNTAFNTBHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481975-A1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-01 EP disclosed
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed