SCHEMBL4244939

SCHEMBL4244939

COCCOCc1ccc2ccc(CN3CCC(NC(=O)c4cccc(OC(C)=O)c4)CC3)cc2c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.68
CCR3 P51677 3/20 0.62
DRD4 P21917 3/20 0.58

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
SCHEMBL3145442 0.92 MCHR1 (0.80) MCHR1CCR3DRD4
SCHEMBL4242512 0.92 MCHR1 (0.68) MCHR1CCR3DRD4
Bromide SCHEMBL3136407 0.92 MCHR1 (0.78) MCHR1CCR3DRD4
Hydrochloric Acid SCHEMBL3149079 0.92 MCHR1 (0.78) MCHR1CCR3DRD4
SCHEMBL3144891 0.90 CCR3 (0.71) MCHR1CCR3DRD4
SCHEMBL3139311 0.90 MCHR1 (0.68) MCHR1CCR3DRD4
SCHEMBL3143827 0.90 MCHR1 (0.64) MCHR1CCR3DRD4
SCHEMBL3149477 0.89 MCHR1 (0.65) MCHR1CCR3DRD4
SCHEMBL4234340 0.89 MCHR1 (0.75) MCHR1CCR3DRD4
SCHEMBL4238205 0.89 MCHR1 (0.65) 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