SCHEMBL4241990

SCHEMBL4241990

COc1cccc(C(=O)NC2CCN(Cc3ccc4ccc(CN5CCCCC5)cc4c3)CC2)c1

nearest known ligand 0.87

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.87
CCR3 P51677 4/20 0.79
DRD4 P21917 2/20 0.74
ALDH1A1 P00352 1/20 0.64
TSHR P16473 1/20 0.64

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
SCHEMBL4243219 0.99 MCHR1 (0.89) MCHR1CCR3DRD4
SCHEMBL3153217 0.94 MCHR1 (0.90) MCHR1CCR3DRD4
SCHEMBL13991076 0.93 MCHR1 (1.00) MCHR1CCR3DRD4
SCHEMBL3153069 0.92 MCHR1 (0.75) MCHR1CCR3DRD4ALDH1A1TSHR
SCHEMBL3141067 0.92 MCHR1 (0.87) MCHR1CCR3DRD4
SCHEMBL4239819 0.92 MCHR1 (0.87) MCHR1CCR3DRD4
SCHEMBL3134114 0.92 MCHR1 (0.90) MCHR1CCR3DRD4
SCHEMBL3135068 0.91 MCHR1 (0.85) MCHR1CCR3DRD4
SCHEMBL3144854 0.91 MCHR1 (0.85) MCHR1CCR3DRD4
SCHEMBL3152972 0.91 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