SCHEMBL9593042

SCHEMBL9593042

O=C(NC(=O)c1ccccc1)NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 2/20 0.72
▸ SIGMAR1 Q99720 5/20 0.70
▸ KMT2A Q03164 3/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ TMEM97 Q5BJF2 2/20 0.57
▸ MCHR1 Q99705 1/20 0.54

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
SCHEMBL29422031 0.86 SIGMAR1 (0.70) DRD4SIGMAR1KMT2AMEN1TMEM97
SCHEMBL8786936 0.85 DRD4 (1.00) DRD4SIGMAR1KMT2AMEN1TMEM97
SCHEMBL9592476 0.84 DRD4 (0.67) DRD4SIGMAR1KMT2AMEN1TMEM97
SCHEMBL9593555 0.83 DRD4 (0.76) DRD4SIGMAR1MCHR1
SCHEMBL9593089 0.83 DRD4 (0.79) DRD4SIGMAR1KMT2AMEN1TMEM97
SCHEMBL9592418 0.83 DRD4 (0.79) DRD4SIGMAR1KMT2AMEN1TMEM97
SCHEMBL9593263 0.83 DRD4 (0.79) DRD4SIGMAR1KMT2AMEN1TMEM97
SCHEMBL9590831 0.81 DRD4 (0.74) DRD4SIGMAR1
Panuramine SCHEMBL2037759 0.80 MCHR1 (0.83) DRD4SIGMAR1KMT2AMEN1MCHR1
SCHEMBL9590922 0.80 DRD4 (0.77) DRD4SIGMAR1KMT2AMEN1TMEM97

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 7 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
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