SCHEMBL4243219

SCHEMBL4243219

COc1cccc(C(=O)NC2CCN(Cc3ccc4ccc(CN5CCCC5)cc4c3)CC2)c1

nearest known ligand 0.89

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.89
CCR3 P51677 4/20 0.81
DRD4 P21917 2/20 0.75

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
SCHEMBL4241990 0.99 MCHR1 (0.87) MCHR1CCR3DRD4
SCHEMBL3153217 0.95 MCHR1 (0.90) MCHR1CCR3DRD4
SCHEMBL13991076 0.94 MCHR1 (1.00) MCHR1CCR3DRD4
SCHEMBL3141067 0.93 MCHR1 (0.87) MCHR1CCR3DRD4
SCHEMBL4239819 0.93 MCHR1 (0.87) MCHR1CCR3DRD4
SCHEMBL3134114 0.93 MCHR1 (0.90) MCHR1CCR3DRD4
SCHEMBL3135068 0.92 MCHR1 (0.85) MCHR1CCR3DRD4
SCHEMBL3144854 0.92 MCHR1 (0.85) MCHR1CCR3DRD4
SCHEMBL3152767 0.92 MCHR1 (0.85) MCHR1CCR3DRD4
SCHEMBL3152972 0.92 MCHR1 (0.85) MCHR1CCR3DRD4

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-2098509-A1 1-NAPHTHYL ALKYLPIPERIDINE DERIVATIVE Taisho Pharmaceutical Co. Ltd. (JP) 2009-09-09 EP disclosed