SCHEMBL9749276

SCHEMBL9749276

O=C(NC(=O)c1cccc2cccnc12)NC1CCN(Cc2ccc3ccccc3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.58
SIGMAR1 Q99720 2/20 0.56
CCR3 P51677 1/20 0.53
DRD4 P21917 4/20 0.52
SLC6A12 P48065 1/20 0.51
SLC6A13 Q9NSD5 1/20 0.51

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
SCHEMBL9749235 0.93 CCR3 (0.61) MCHR1CCR3
SCHEMBL9591749 0.85 MCHR1 (0.62) MCHR1SIGMAR1DRD4SLC6A12SLC6A13
SCHEMBL9748562 0.83 DRD4 (0.61) MCHR1DRD4SLC6A12SLC6A13
SCHEMBL9592427 0.82 MCHR1 (0.70) MCHR1SIGMAR1CCR3DRD4SLC6A12
SCHEMBL9592834 0.81 DRD4 (0.67) MCHR1SIGMAR1CCR3DRD4SLC6A12
Panuramine SCHEMBL2037759 0.81 MCHR1 (0.83) MCHR1SIGMAR1CCR3DRD4SLC6A12
Panuramine SCHEMBL9749426 0.80 MCHR1 (0.81) MCHR1SIGMAR1CCR3DRD4SLC6A12
SCHEMBL9589358 0.79 DRD4 (0.67) MCHR1SIGMAR1CCR3DRD4SLC6A12
SCHEMBL9748761 0.78 ACKR3 (0.61) MCHR1CCR3DRD4SLC6A12SLC6A13
SCHEMBL9792346 0.78 MCHR1 (0.84) MCHR1SIGMAR1CCR3DRD4SLC6A12

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-0234098-B1 N-[piperidylaminocarbonyl]quinolinecarboxamide derivatives having psychotropic activity JOHN WYETH & BROTHER LIMITED (GB) 1992-02-26 EP claimed