SCHEMBL643303

SCHEMBL643303

O=C1Nc2ccccc2C(c2ccccc2)=NC1NC(=O)N1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CBLB Q13191 10/20 0.68
CCKBR P32239 7/20 0.61
CCKAR P32238 5/20 0.61

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
SCHEMBL642830 0.89 CCKBR (0.63) CBLBCCKBRCCKAR
SCHEMBL643870 0.88 CCKBR (0.61) CBLBCCKBRCCKAR
SCHEMBL3968844 0.85 CBLB (0.65) CBLBCCKBRCCKAR
SCHEMBL3824296 0.82 CBLB (0.75) CBLBCCKBRCCKAR
SCHEMBL20866715 0.82 CBLB (0.57) CBLBCCKBRCCKAR
SCHEMBL2930364 0.81 CCKBR (0.76) CCKBRCCKAR
SCHEMBL18394863 0.81 CCKBR (0.76) CCKBRCCKAR
SCHEMBL18394473 0.81 CCKBR (0.76) CCKBRCCKAR
SCHEMBL5606392 0.80 CBLB (0.74) CBLBCCKBRCCKAR
Cyclohexane SCHEMBL3966556 0.80 CCKBR (0.71) CCKBRCCKAR

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-8119630-B2 Benzodiazepine derivatives and pharmaceutical compositions containing them ARROW THERAPEUTICS LIMITED (GB) 2012-02-21 US disclosed