SCHEMBL21834493

SCHEMBL21834493

COC(=O)c1cc(Cc2ccc(-c3cnn(C)c3)cc2)c2c(c1F)CCO2.Cn1cc(-c2ccc(Cc3cc(Br)c(F)c4c3OCC4)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.44
AXL P30530 1/20 0.37
MERTK Q12866 1/20 0.37
CCNC P24863 7/20 0.36
CDK8 P49336 7/20 0.36
GRM2 Q14416 3/20 0.36
MET P08581 2/20 0.35

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
SCHEMBL23698817 0.95 CHRM1 (0.47) CHRM1CCNCCDK8GRM2
SCHEMBL23698808 0.89 CHRM1 (0.40) CHRM1CCNCCDK8GRM2MET
SCHEMBL23698833 0.85 CHRM1 (0.47) CHRM1CCNCCDK8GRM2
SCHEMBL23698798 0.85 CHRM1 (0.49) CHRM1GRM2MET
SCHEMBL23713433 0.84 CHRM1 (0.46) CHRM1CCNCCDK8GRM2
SCHEMBL23698891 0.81 BRD4 (0.36) CHRM1
SCHEMBL21834470 0.81 KAT6A (0.35) CHRM1
SCHEMBL23698803 0.78 CHRM1 (0.61) CHRM1
SCHEMBL21873385 0.77 CHRM1 (0.45) CHRM1CCNCCDK8GRM2MET
SCHEMBL30428285 0.77 CHRM1 (0.45) CHRM1CCNCCDK8GRM2MET

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
WO-2020067457-A1 CONDENSED-CYCLIC COMPOUND 武田薬品工業株式会社 2020-04-02 WO disclosed