SCHEMBL6633140

SCHEMBL6633140

CC(=O)N1Cc2cc(-c3ccncc3)ccc2N(C(=O)C(F)(F)F)CC1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.47
FNTB P49356 10/20 0.47
ABCB1 P08183 3/20 0.41
HSD17B3 P37058 2/20 0.40
DAGLB Q8NCG7 1/20 0.40
DAGLA Q9Y4D2 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
BRD4 O60885 2/20 0.38
ROCK1 Q13464 1/20 0.38

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
SCHEMBL6615352 0.86 FNTA (0.62) FNTAFNTBDAGLBDAGLACYP11B1
SCHEMBL6616410 0.85 CYP11B2 (0.52) FNTAFNTBDAGLBCYP11B1CYP11B2
SCHEMBL6633636 0.85 FNTA (0.58) FNTAFNTBABCB1HSD17B3BRD4
SCHEMBL6635023 0.80 FNTA (0.49) FNTAFNTBABCB1HSD17B3BRD4
SCHEMBL3500354 0.77 FNTA (0.56) FNTAFNTBBRD4
SCHEMBL6617952 0.77 FNTA (0.46) FNTAFNTBABCB1HSD17B3DAGLB
SCHEMBL3502071 0.71 FNTA (0.47) FNTAFNTBBRD4
SCHEMBL3502075 0.71 FNTA (0.47) FNTAFNTBBRD4
SCHEMBL3498476 0.71 FNTA (0.57) FNTAFNTBBRD4
SCHEMBL3501424 0.71 FNTA (0.57) FNTAFNTBBRD4

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