SCHEMBL30428285

SCHEMBL30428285

COC(=O)c1cc(Cc2ccc(-c3cnn(C)c3)cc2)c2c(n1)CCO2

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.45
CCNC P24863 8/20 0.40
CDK8 P49336 8/20 0.40
GRM2 Q14416 3/20 0.40
MAPK8 P45983 1/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
MET P08581 1/20 0.37

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
SCHEMBL21873385 1.00 CHRM1 (0.45) CHRM1CCNCCDK8GRM2MAPK8
SCHEMBL21873501 0.89 CHRM1 (0.45) CHRM1CCNCCDK8GRM2PIM1
SCHEMBL21873365 0.89 CHRM1 (0.49) CHRM1GRM2MET
SCHEMBL30428197 0.89 CHRM1 (0.49) CHRM1GRM2MET
SCHEMBL19932610 0.88 CHRM1 (0.46) CHRM1CCNCCDK8GRM2MAPK8
SCHEMBL21873604 0.85 BRD4 (0.38) CHRM1
SCHEMBL30428362 0.85 BRD4 (0.38) CHRM1
SCHEMBL30427998 0.85 CHRM1 (0.47) CHRM1
SCHEMBL21873516 0.85 CHRM1 (0.47) CHRM1
SCHEMBL21935357 0.83 CHRM1 (0.64) CHRM1CCNCCDK8

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
CN-110709401-B Heterocyclic compounds 武田药品工业株式会社 2023-06-13 CN disclosed