SCHEMBL13205346

SCHEMBL13205346

CC(C)[C@H](NC(=O)c1nc2cccnc2nc1O)C(=O)N1CCC(Oc2ccc(F)cc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 19/20 0.44
CCR1 P32246 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
SCHEMBL2775652 0.91 CCR1 (0.47) GPR6CCR1
SCHEMBL13205824 0.89 CCR1 (0.39) GPR6CCR1
SCHEMBL2779911 0.85 CCR1 (0.47) GPR6CCR1
SCHEMBL2775118 0.84 CCR1 (0.47) CCR1
SCHEMBL2778814 0.84 CCR1 (0.46) GPR6CCR1
SCHEMBL13205113 0.84 GPR6 (0.51) GPR6
SCHEMBL2776471 0.83 CCR1 (0.45) CCR1
SCHEMBL2776272 0.83 CCR1 (0.45) GPR6CCR1
SCHEMBL12978067 0.83 CCR1 (0.45) GPR6CCR1
SCHEMBL13205289 0.83 CCR1 (0.45) CCR1

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-2010087471-A1 HYDROXYPYRAZINECARBOXAMIDE DERIVATIVES 第一三共株式会社 (JP) 2010-08-05 WO disclosed