SCHEMBL9593263

SCHEMBL9593263

Nc1cccc(CN2CCC(NC(=O)NC(=O)c3ccccc3)CC2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 4/20 0.79
▸ DRD2 P14416 2/20 0.58
▸ MCHR1 Q99705 3/20 0.58
▸ SIGMAR1 Q99720 4/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ F10 P00742 1/20 0.57
▸ HPN P05981 1/20 0.57
▸ PRSS1 P07477 1/20 0.57
▸ PRSS2 P07478 1/20 0.57
▸ PRSS3 P35030 1/20 0.57
▸ HGFAC Q04756 1/20 0.57
▸ ST14 Q9Y5Y6 1/20 0.57
▸ KCNH2 Q12809 1/20 0.55
▸ DRD3 P35462 1/20 0.55
▸ TMEM97 Q5BJF2 2/20 0.55
▸ SLC6A12 P48065 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55

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
SCHEMBL8786936 0.89 DRD4 (1.00) DRD4DRD2MCHR1SIGMAR1KMT2A
SCHEMBL9593089 0.87 DRD4 (0.79) DRD4DRD2MCHR1SIGMAR1KMT2A
SCHEMBL9592418 0.87 DRD4 (0.79) DRD4DRD2MCHR1SIGMAR1KMT2A
SCHEMBL9591635 0.84 DRD4 (0.78) DRD4DRD2MCHR1SIGMAR1KMT2A
SCHEMBL9590831 0.84 DRD4 (0.74) DRD4SIGMAR1
SCHEMBL11337873 0.84 DRD4 (0.71) DRD4MCHR1SIGMAR1KMT2AMEN1
Panuramine SCHEMBL2037759 0.83 MCHR1 (0.83) DRD4MCHR1SIGMAR1KMT2AMEN1
SCHEMBL9590922 0.83 DRD4 (0.77) DRD4DRD2MCHR1SIGMAR1KMT2A
SCHEMBL9593042 0.83 DRD4 (0.72) DRD4MCHR1SIGMAR1KMT2AMEN1
SCHEMBL9591760 0.83 KMT2A (0.83) DRD4DRD2MCHR1SIGMAR1KMT2A

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
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