SCHEMBL10684271

SCHEMBL10684271

O=C(NN1C(=O)CN=C(c2ccccc2F)c2ccccc21)c1cc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 17/20 0.58
CCKAR P32238 11/20 0.56
ADRB2 P07550 1/20 0.44
TSPO P30536 1/20 0.44
GLP1R P43220 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
DHODH Q02127 1/20 0.44

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
SCHEMBL9866333 0.88 CCKBR (0.55) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL9500427 0.73 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9525757 0.72 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL9525603 0.72 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL9122241 0.69 CCKBR (0.81) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL9525011 0.69 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL9122249 0.69 CCKBR (0.81) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL9127549 0.69 CCKBR (0.81) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL9525022 0.69 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL9293468 0.68 CCKBR (0.76) CCKBRCCKARADRB2TSPOGLP1R

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
EP-0284256-A1 Benzodiazepine analogs MERCK & CO. INC. (US) 1988-09-28 EP claimed