SCHEMBL9593555

SCHEMBL9593555

O=C(NC(=O)c1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2ccc3ccccc3c2)CC1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 6/20 0.76
▸ MCHR1 Q99705 10/20 0.65
▸ SIGMAR1 Q99720 3/20 0.57
▸ SLC6A12 P48065 1/20 0.57
▸ SLC6A13 Q9NSD5 1/20 0.57
▸ CCR3 P51677 1/20 0.56

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 0.88 MCHR1 (0.83) DRD4MCHR1SIGMAR1SLC6A12SLC6A13
Panuramine SCHEMBL9749426 0.87 MCHR1 (0.81) DRD4MCHR1SIGMAR1SLC6A12SLC6A13
SCHEMBL9792346 0.86 MCHR1 (0.84) DRD4MCHR1SIGMAR1SLC6A12CCR3
SCHEMBL9594285 0.85 DRD4 (0.75) DRD4MCHR1CCR3
SCHEMBL9592427 0.84 MCHR1 (0.70) DRD4MCHR1SIGMAR1SLC6A12SLC6A13
SCHEMBL9593042 0.83 DRD4 (0.72) DRD4MCHR1SIGMAR1
SCHEMBL9591135 0.83 DRD4 (0.66) DRD4MCHR1SLC6A12SLC6A13
SCHEMBL9592451 0.81 DRD4 (0.71) DRD4MCHR1SIGMAR1SLC6A12SLC6A13
SCHEMBL11057431 0.81 CCR3 (0.84) DRD4MCHR1CCR3
SCHEMBL9592476 0.80 DRD4 (0.67) DRD4MCHR1SIGMAR1CCR3

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
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
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
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