SCHEMBL4242525

SCHEMBL4242525

COCCOCc1ccc2ccc(CN3CCC(NC(=O)c4cnc5ccccc5c4)CC3)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.62
MCHR1 Q99705 15/20 0.59
DRD4 P21917 4/20 0.56

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
SCHEMBL4236492 0.89 DRD4 (0.71) MCHR1DRD4
SCHEMBL4246600 0.87 MCHR1 (0.72) MCHR1DRD4
SCHEMBL4236450 0.85 MCHR1 (0.56) MCHR1DRD4
SCHEMBL4241035 0.85 MCHR1 (0.57) MCHR1DRD4
SCHEMBL4234340 0.85 MCHR1 (0.75) MCHR1DRD4
SCHEMBL3143163 0.83 MCHR1 (0.55) MCHR1DRD4
SCHEMBL4238205 0.83 MCHR1 (0.65) MCHR1DRD4
SCHEMBL3149477 0.83 MCHR1 (0.65) MCHR1DRD4
SCHEMBL4240454 0.83 CCR3 (0.59) MCHR1DRD4
SCHEMBL4238071 0.83 CCR3 (0.59) MCHR1DRD4

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