SCHEMBL9748761

SCHEMBL9748761

O=C(NC(=O)c1ccc2ncccc2c1)NC1CCN(Cc2ccc3ncccc3c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.61
CXCR4 P61073 1/20 0.57
DRD4 P21917 7/20 0.56
MCHR1 Q99705 6/20 0.53
SLC6A12 P48065 1/20 0.53
SLC6A13 Q9NSD5 1/20 0.53
CCR3 P51677 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.52

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 0.96 DRD4 (0.61) ACKR3DRD4MCHR1SLC6A12SLC6A13
SCHEMBL9589358 0.93 DRD4 (0.67) ACKR3CXCR4DRD4MCHR1SLC6A12
SCHEMBL9748813 0.93 CCR3 (0.62) ACKR3DRD4MCHR1CCR3
SCHEMBL9592513 0.91 CXCR4 (0.61) ACKR3CXCR4DRD4MCHR1CCR3
SCHEMBL9748969 0.85 ACKR3 (0.52) ACKR3CXCR4DRD4MCHR1SLC6A12
SCHEMBL9750306 0.80 PLK1 (0.56) ACKR3SMN1; SMN2
SCHEMBL9592427 0.80 MCHR1 (0.70) DRD4MCHR1SLC6A12SLC6A13CCR3
SCHEMBL9592834 0.80 DRD4 (0.67) CXCR4DRD4MCHR1SLC6A12SLC6A13
Panuramine SCHEMBL2037759 0.79 MCHR1 (0.83) DRD4MCHR1SLC6A12SLC6A13CCR3
SCHEMBL9591749 0.79 MCHR1 (0.62) DRD4MCHR1SLC6A12SLC6A13

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 6 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
US-4778802-A PSYCHOTROPIC ACTIVITY; ANTIDEPRESSANTS JOHN WYETH & BROTHER, LTD. (GB) 1988-10-18 US claimed
EP-0234098-A1 N-[piperidylaminocarbonyl]quinolinecarboxamide derivatives having psychotropic activity JOHN WYETH & BROTHER LIMITED (GB) 1987-09-02 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