SCHEMBL4236492

SCHEMBL4236492

COCCOCc1ccc2ccc(CN3CCC(NC(=O)c4ccc5ccccc5c4)CC3)cc2c1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.71
MCHR1 Q99705 11/20 0.70
SLC6A12 P48065 1/20 0.67
SLC6A13 Q9NSD5 1/20 0.67

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
SCHEMBL4246600 0.93 MCHR1 (0.72) DRD4MCHR1
SCHEMBL4234340 0.92 MCHR1 (0.75) DRD4MCHR1
SCHEMBL3149781 0.91 CCR3 (0.72) DRD4MCHR1
SCHEMBL3145442 0.90 MCHR1 (0.80) DRD4MCHR1
SCHEMBL4238205 0.90 MCHR1 (0.65) DRD4MCHR1SLC6A12SLC6A13
SCHEMBL3149477 0.90 MCHR1 (0.65) DRD4MCHR1SLC6A12SLC6A13
SCHEMBL4238071 0.90 CCR3 (0.59) DRD4MCHR1
SCHEMBL4240454 0.90 CCR3 (0.59) DRD4MCHR1
SCHEMBL3144891 0.90 CCR3 (0.71) DRD4MCHR1SLC6A12SLC6A13
Hydrochloric Acid SCHEMBL3149079 0.89 MCHR1 (0.78) DRD4MCHR1

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