SCHEMBL9592011

SCHEMBL9592011

NC(=O)NC1CCN(Cc2ccc3ccccc3c2)CC1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.74
SIGMAR1 Q99720 2/20 0.74
DRD4 P21917 2/20 0.63
SLC6A12 P48065 1/20 0.63
SLC6A13 Q9NSD5 1/20 0.63
CCR4 P51679 1/20 0.63

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
SCHEMBL4762592 0.88 MCHR1 (0.80) MCHR1SIGMAR1DRD4SLC6A12SLC6A13
SCHEMBL9750319 0.88 CCR3 (0.75) MCHR1
SCHEMBL9592070 0.85 MCHR1 (0.71) MCHR1SIGMAR1DRD4SLC6A12SLC6A13
SCHEMBL5230894 0.84 SIGMAR1 (0.74) MCHR1SIGMAR1DRD4SLC6A12
SCHEMBL9589370 0.82 DRD4 (0.78) MCHR1SIGMAR1DRD4SLC6A12SLC6A13
Panuramine SCHEMBL2037759 0.81 MCHR1 (0.83) MCHR1SIGMAR1DRD4SLC6A12SLC6A13
SCHEMBL4117894 0.81 MCHR1 (0.65) MCHR1SIGMAR1DRD4CCR4
SCHEMBL5307088 0.81 CCR3 (0.76) MCHR1
Panuramine SCHEMBL9749426 0.80 MCHR1 (0.81) MCHR1SIGMAR1DRD4SLC6A12SLC6A13
SCHEMBL9593277 0.80 MCHR1 (0.81) MCHR1SIGMAR1DRD4SLC6A12SLC6A13

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
US-5212179-A Antidepressants JOHN WYETH AND BROTHER LIMITED (GB) 1993-05-18 US disclosed
US-4985438-A PSYCHOTROPIC ACTIVITY, ANTIDEPRESSANTS JOHN WYETH & BROTHER, LIMITED (GB) 1991-01-15 US disclosed
US-4806552-A ANTIDEPRESSANTS JOHN WYETH & BROTHER, LIMITED (GB) 1989-02-21 US disclosed
US-4722930-A ANTIDEPRESSANTS JOHN WYETH AND BROTHER LIMITED (GB) 1988-02-02 US disclosed
US-4563466-A ANTISEROTONINE JOHN WYETH & BROTHER LIMITED (GB) 1986-01-07 US disclosed
EP-0035374-B1 PIPERIDYL - UREA, - THIOUREA AND - GUANIDINE DERIVATIVES, AND INTERMEDIATES THEREFOR, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1985-01-30 EP disclosed