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Sugi Predict / Compounds / SCHEMBL18756185

SCHEMBL18756185

SCHEMBL18756185

Cc1nc(C(=O)NC2CCCCC2)cc(Cc2ccc(-c3cnn(C)c3)nc2)c1C

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 11/20 0.64
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ CCNC P24863 1/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ USP30 Q70CQ3 1/20 0.43
▸ AURKA O14965 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42

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
SCHEMBL18725379 0.89 CHRM1 (0.65) CHRM1
SCHEMBL6891034 0.87 CHRM1 (0.65) CHRM1CCNCCDK8AURKAAURKB
SCHEMBL19932634 0.86 CHRM1 (0.85) CHRM1
SCHEMBL21936383 0.85 CHRM1 (0.61) CHRM1AURKAAURKB
SCHEMBL21935673 0.84 CHRM1 (0.62) CHRM1
SCHEMBL18756570 0.83 CHRM1 (0.46) CHRM1
SCHEMBL18756664 0.82 CHRM1 (0.46) CHRM1
SCHEMBL18756376 0.81 CHRM1 (0.47) CHRM1
SCHEMBL30671882 0.80 CHRM1 (0.69) CHRM1
SCHEMBL26966585 0.80 CHRM1 (0.69) CHRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3156397-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 — — EP disclosed
EP-3156397-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-04-19 — — EP disclosed