SCHEMBL8050207

SCHEMBL8050207

O=C(O)C1CN(Cc2c[nH]cn2)c2ccc(-c3ccccc3)cc2CN1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.36
FNTB P49356 8/20 0.36
BRD4 O60885 4/20 0.36
UCHL1 P09936 1/20 0.33
CD274 Q9NZQ7 1/20 0.32
FAAH O00519 4/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL3501148 0.77 FNTA (0.35) FNTAFNTBCYP11B1CYP11B2
SCHEMBL3500345 0.76 FNTA (0.50) FNTAFNTBCYP11B1CYP11B2
SCHEMBL3501424 0.75 FNTA (0.57) FNTAFNTBBRD4
SCHEMBL3498476 0.75 FNTA (0.57) FNTAFNTBBRD4
SCHEMBL3501004 0.74 FNTA (0.49) FNTAFNTBBRD4CYP11B1CYP11B2
SCHEMBL3502071 0.74 FNTA (0.47) FNTAFNTBBRD4
SCHEMBL3502075 0.74 FNTA (0.47) FNTAFNTBBRD4
SCHEMBL3502482 0.74 FNTA (0.52) FNTAFNTB
SCHEMBL3499115 0.74 FNTA (0.56) FNTAFNTB
SCHEMBL3502109 0.73 FNTA (0.51) FNTAFNTBCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US claimed