SCHEMBL9592476

SCHEMBL9592476

Cc1ccc(CN2CCC(NC(=O)NC(=O)c3ccccc3)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 2/20 0.67
▸ MCHR1 Q99705 2/20 0.55
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ SIGMAR1 Q99720 5/20 0.52
▸ TMEM97 Q5BJF2 2/20 0.52
▸ CCR3 P51677 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ DCUN1D1 Q96GG9 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL9590759 0.88 DRD4 (0.75) DRD4MCHR1MEN1KMT2ASIGMAR1
SCHEMBL11337873 0.85 DRD4 (0.71) DRD4MCHR1MEN1KMT2ASIGMAR1
SCHEMBL9593042 0.84 DRD4 (0.72) DRD4MCHR1MEN1KMT2ASIGMAR1
SCHEMBL9591635 0.81 DRD4 (0.78) DRD4MCHR1MEN1KMT2ASIGMAR1
SCHEMBL9592451 0.81 DRD4 (0.71) DRD4MCHR1MEN1KMT2ASIGMAR1
SCHEMBL8786936 0.81 DRD4 (1.00) DRD4MCHR1MEN1KMT2ASIGMAR1
Panuramine SCHEMBL2037759 0.81 MCHR1 (0.83) DRD4MCHR1MEN1KMT2ASIGMAR1
SCHEMBL9590922 0.81 DRD4 (0.77) DRD4MCHR1MEN1KMT2ASIGMAR1
SCHEMBL9591654 0.80 DRD4 (0.84) DRD4MCHR1MEN1KMT2ASIGMAR1
SCHEMBL9593555 0.80 DRD4 (0.76) 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 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
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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