SCHEMBL20448786

SCHEMBL20448786

CCc1[nH]c(C(=O)N[C@@H]2CCN(c3nnc([C](C)C)s3)C[C@@H]2OC)nc1Cl

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABCC2 Q92887 3/20 0.46

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
SCHEMBL20448805 0.94 ABCC2 (0.43) ABCC2
SCHEMBL20448792 0.92 ABCC2 (0.45) ABCC2
SCHEMBL20448796 0.92 ABCC2 (0.45) ABCC2
SCHEMBL20448816 0.88 ABCC2 (0.44) ABCC2
SCHEMBL20448813 0.88 ABCC2 (0.43) ABCC2
SCHEMBL20557005 0.87 ABCC2 (0.44) ABCC2
SCHEMBL20448812 0.87 ABCC2 (0.44) ABCC2
SCHEMBL20448815 0.87 ABCC2 (0.44) ABCC2
SCHEMBL20448797 0.87 ABCC2 (0.43) ABCC2
SCHEMBL20448793 0.87 ABCC2 (0.43) ABCC2

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
EP-3356361-A1 HYDROXYALKYL THIADIAZOLE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-08-08 EP disclosed