SCHEMBL9748813

SCHEMBL9748813

O=C(NC(=O)c1ccc2ncccc2c1)NC1CCN(Cc2ccc3cc(F)ccc3c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 13/20 0.62
MCHR1 Q99705 5/20 0.60
ACKR3 P25106 1/20 0.55
DRD4 P21917 1/20 0.53

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
SCHEMBL9748562 0.93 DRD4 (0.61) MCHR1ACKR3DRD4
SCHEMBL9748761 0.93 ACKR3 (0.61) CCR3MCHR1ACKR3DRD4
SCHEMBL9589358 0.87 DRD4 (0.67) CCR3MCHR1ACKR3DRD4
SCHEMBL9591400 0.84 CCR3 (0.67) CCR3MCHR1DRD4
SCHEMBL9592513 0.84 CXCR4 (0.61) CCR3MCHR1ACKR3DRD4
SCHEMBL9592175 0.84 CCR3 (0.71) CCR3MCHR1DRD4
SCHEMBL9749235 0.84 CCR3 (0.61) CCR3MCHR1
SCHEMBL11057431 0.84 CCR3 (0.84) CCR3MCHR1DRD4
SCHEMBL9792346 0.84 MCHR1 (0.84) CCR3MCHR1DRD4
SCHEMBL9748969 0.79 ACKR3 (0.52) CCR3MCHR1ACKR3DRD4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0234098-B1 N-[piperidylaminocarbonyl]quinolinecarboxamide derivatives having psychotropic activity JOHN WYETH & BROTHER LIMITED (GB) 1992-02-26 EP claimed
EP-0234098-B1 N-[piperidylaminocarbonyl]quinolinecarboxamide derivatives having psychotropic activity JOHN WYETH & BROTHER LIMITED (GB) 1992-02-26 EP disclosed
US-4778802-A PSYCHOTROPIC ACTIVITY; ANTIDEPRESSANTS JOHN WYETH & BROTHER, LTD. (GB) 1988-10-18 US disclosed
EP-0234098-A1 N-[piperidylaminocarbonyl]quinolinecarboxamide derivatives having psychotropic activity JOHN WYETH & BROTHER LIMITED (GB) 1987-09-02 EP disclosed