SCHEMBL9593277

SCHEMBL9593277

O=C(NC(=S)NC1CCN(Cc2ccc3ccccc3c2)CC1)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.81
CCR3 P51677 1/20 0.69
SIGMAR1 Q99720 2/20 0.67
ATM Q13315 1/20 0.66
GPR55 Q9Y2T6 1/20 0.66
DRD4 P21917 3/20 0.64
SLC6A12 P48065 1/20 0.64
SLC6A13 Q9NSD5 1/20 0.64
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60

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
Panuramine SCHEMBL2037759 0.90 MCHR1 (0.83) MCHR1CCR3SIGMAR1DRD4SLC6A12
Panuramine SCHEMBL9749426 0.89 MCHR1 (0.81) MCHR1CCR3SIGMAR1DRD4SLC6A12
SCHEMBL9601120 0.88 MCHR1 (0.80) MCHR1CCR3SIGMAR1DRD4SLC6A12
SCHEMBL4762592 0.84 MCHR1 (0.80) MCHR1CCR3SIGMAR1DRD4SLC6A12
SCHEMBL2564778 0.83 MCHR1 (0.87) MCHR1CCR3SIGMAR1DRD4SLC6A12
SCHEMBL9592451 0.82 DRD4 (0.71) MCHR1CCR3SIGMAR1DRD4SLC6A12
SCHEMBL11057431 0.82 CCR3 (0.84) MCHR1CCR3DRD4
SCHEMBL9592427 0.82 MCHR1 (0.70) MCHR1CCR3SIGMAR1DRD4SLC6A12
SCHEMBL9792346 0.82 MCHR1 (0.84) MCHR1CCR3SIGMAR1ATMGPR55
SCHEMBL9594285 0.81 DRD4 (0.75) MCHR1CCR3DRD4

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 8 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
US-4426387-A Piperid-4-yl ureas and thio ureas used as anti-depressant agents JOHN WYETH & BROTHER LTD. (GB) 1984-01-17 US disclosed
EP-0035374-A2 Piperidyl - urea, - thiourea and - guanidine derivatives, and intermediates therefor, processes for preparing them and pharmaceutical compositions containing the derivatives JOHN WYETH & BROTHER LIMITED (GB) 1981-09-09 EP disclosed