SCHEMBL2774697

SCHEMBL2774697

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

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.49
GPR6 P46095 19/20 0.48
CYP2D6 P10635 2/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL2776203 0.92 CCR1 (0.49) CCR1GPR6
SCHEMBL2776919 0.91 CCR1 (0.48) CCR1GPR6KCNH2
SCHEMBL2773855 0.90 CCR1 (0.48) CCR1GPR6KCNH2
SCHEMBL2776593 0.90 KMT2A (0.50) CCR1GPR6
SCHEMBL2776599 0.89 GPR6 (0.49) GPR6
SCHEMBL2775382 0.87 CCR1 (0.46) CCR1GPR6KCNH2
SCHEMBL13205293 0.85 GPR6 (0.56) CCR1GPR6
SCHEMBL2774930 0.85 CCR1 (0.43) CCR1GPR6
SCHEMBL2779822 0.85 CCR1 (0.46) CCR1GPR6KCNH2
SCHEMBL2775871 0.85 PTGDR (0.46) CCR1GPR6

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-2258697-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-08 EP disclosed