SCHEMBL4238205

SCHEMBL4238205

COCCOCc1ccc2ccc(CN3CCC(NC(=O)c4cccc(COC)c4)CC3)cc2c1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.65
DRD4 P21917 6/20 0.60
CCR3 P51677 2/20 0.60
TMEM97 Q5BJF2 1/20 0.55
SLC6A12 P48065 1/20 0.55
SLC6A13 Q9NSD5 1/20 0.55

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
SCHEMBL3145256 0.95 MCHR1 (0.63) MCHR1DRD4CCR3TMEM97SLC6A12
SCHEMBL3134083 0.95 MCHR1 (0.63) MCHR1DRD4CCR3TMEM97SLC6A12
SCHEMBL4234340 0.93 MCHR1 (0.75) MCHR1DRD4CCR3
SCHEMBL3149477 0.93 MCHR1 (0.65) MCHR1DRD4CCR3SLC6A12SLC6A13
SCHEMBL3145239 0.92 MCHR1 (0.64) MCHR1DRD4CCR3
SCHEMBL3141061 0.92 MCHR1 (0.64) MCHR1DRD4CCR3
SCHEMBL3143827 0.92 MCHR1 (0.64) MCHR1DRD4CCR3
SCHEMBL3143478 0.92 MCHR1 (0.64) MCHR1DRD4CCR3
SCHEMBL4246600 0.92 MCHR1 (0.72) MCHR1DRD4CCR3
SCHEMBL3149240 0.91 MCHR1 (0.63) MCHR1DRD4CCR3

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