SCHEMBL4388565

SCHEMBL4388565

COCCOCc1ccc2ccc(CN3CCC(NC(=O)C(C)c4ccccc4)CC3)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.53
SIGMAR1 Q99720 2/20 0.51
DRD4 P21917 2/20 0.49
CCR3 P51677 2/20 0.48

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
SCHEMBL4247384 1.00 MCHR1 (0.53) MCHR1SIGMAR1DRD4CCR3
SCHEMBL4388557 1.00 MCHR1 (0.53) MCHR1SIGMAR1DRD4CCR3
SCHEMBL3149300 0.92 MCHR1 (0.54) MCHR1SIGMAR1DRD4CCR3
SCHEMBL4246600 0.86 MCHR1 (0.72) MCHR1DRD4CCR3
SCHEMBL4238501 0.86 MCHR1 (0.56) MCHR1SIGMAR1DRD4CCR3
SCHEMBL3154070 0.83 MCHR1 (0.54) MCHR1DRD4CCR3
SCHEMBL4236492 0.83 DRD4 (0.71) MCHR1DRD4
Hydrochloric Acid SCHEMBL4240924 0.82 CCR8 (0.53) MCHR1SIGMAR1DRD4CCR3
SCHEMBL3149477 0.82 MCHR1 (0.65) MCHR1DRD4CCR3
SCHEMBL4245906 0.82 MCHR1 (0.65) 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