SCHEMBL9590597

SCHEMBL9590597

CC(c1ccc2ccccc2c1)N1CCC(NC(=O)NC(=O)c2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 4/20 0.67
▸ MCHR1 Q99705 3/20 0.67
▸ ACKR3 P25106 5/20 0.50
▸ ALDH1A1 P00352 1/20 0.46
▸ EPHX1 P07099 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ SLC6A12 P48065 1/20 0.44
▸ SLC6A13 Q9NSD5 1/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ TEAD1 P28347 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL10964860 0.87 DRD4 (0.53) DRD4MCHR1ALDH1A1EPHX1EPHX2
SCHEMBL9592126 0.81 DRD4 (0.51) DRD4MCHR1ACKR3ALDH1A1EPHX1
SCHEMBL10965667 0.80 DRD4 (0.58) DRD4MCHR1ALDH1A1EPHX1EPHX2
Panuramine SCHEMBL2037759 0.76 MCHR1 (0.83) DRD4MCHR1SLC6A12SLC6A13
SCHEMBL9592555 0.75 DRD4 (0.79) DRD4MCHR1ALDH1A1SLC6A12
Panuramine SCHEMBL9749426 0.75 MCHR1 (0.81) DRD4MCHR1SLC6A12SLC6A13
SCHEMBL9590523 0.74 DRD4 (0.67) DRD4MCHR1SLC6A12SLC6A13
SCHEMBL16322087 0.74 DRD4 (0.69) DRD4EPHX1EPHX2NPSR1GAA
SCHEMBL4502456 0.73 DRD4 (0.67) DRD4EPHX1EPHX2GAAHTT
SCHEMBL13801318 0.71 DRD4 (0.66) DRD4MCHR1EPHX1EPHX2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-4426387-A Piperid-4-yl ureas and thio ureas used as anti-depressant agents JOHN WYETH & BROTHER LTD. (GB) 1984-01-17 — — US claimed
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 claimed
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
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
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