SCHEMBL7687980

SCHEMBL7687980

CC(C)(C)OC(=O)n1cnc(CN2CC(Cc3ccccc3)N(S(C)(=O)=O)Cc3cc(Br)ccc32)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FNTA P49354 18/20 0.57
FNTB P49356 18/20 0.57
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39

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
SCHEMBL6615490 1.00 FNTA (0.57) FNTAFNTBNR1H2NR1H3
SCHEMBL7689881 0.89 FNTA (0.59) FNTAFNTB
SCHEMBL6616926 0.89 FNTA (0.59) FNTAFNTB
SCHEMBL3501183 0.84 FNTA (0.66) FNTAFNTB
SCHEMBL3501192 0.84 FNTA (0.66) FNTAFNTB
SCHEMBL6630447 0.82 FNTA (0.51) FNTAFNTB
SCHEMBL6619841 0.82 FNTA (0.59) FNTAFNTB
SCHEMBL6637483 0.82 FNTA (0.59) FNTAFNTB
SCHEMBL6638922 0.82 FNTA (0.61) FNTAFNTB
SCHEMBL6624912 0.81 FNTA (0.70) FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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