SCHEMBL643309

SCHEMBL643309

O=C(NC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O)c1ccco1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 12/20 0.62
CCKAR P32238 7/20 0.61
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
ALB P02768 1/20 0.58
KMT2A Q03164 1/20 0.58
CHRM1 P11229 1/20 0.53

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
SCHEMBL643022 0.88 CCKBR (0.69) CCKBRCCKAR
SCHEMBL4819173 0.85 MEN1 (0.69) CCKBRCCKARMEN1LMNAALB
SCHEMBL3965192 0.84 MEN1 (0.55) CCKBRCCKARMEN1LMNAALB
SCHEMBL641962 0.83 MEN1 (0.66) CCKBRCCKARMEN1LMNAALB
Cyclohexane SCHEMBL3971471 0.82 MEN1 (0.65) CCKBRCCKARMEN1LMNAALB
SCHEMBL643718 0.81 CCKBR (0.62) CCKBRCCKARMEN1LMNAALB
SCHEMBL1574149 0.81 CCKBR (0.62) CCKBRCCKARMEN1LMNAALB
SCHEMBL644328 0.81 CCKBR (0.62) CCKBRCCKARMEN1LMNAALB
SCHEMBL5418531 0.80 LMNA (0.72) CCKBRCCKARMEN1LMNAALB
SCHEMBL643974 0.80 CHRM1 (0.65) CCKBRCCKARMEN1LMNAALB

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