SCHEMBL9590922

SCHEMBL9590922

O=C(NC(=O)c1ccccc1)NC1CCN(Cc2ccc(Br)c(Br)c2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 4/20 0.77
▸ MCHR1 Q99705 5/20 0.62
▸ KMT2A Q03164 3/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ CCR3 P51677 1/20 0.58
▸ FAAH O00519 1/20 0.55
▸ DRD2 P14416 1/20 0.53
▸ DRD3 P35462 1/20 0.53
▸ SIGMAR1 Q99720 4/20 0.53
▸ TMEM97 Q5BJF2 2/20 0.53
▸ SLC6A12 P48065 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ GPR55 Q9Y2T6 1/20 0.53

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
SCHEMBL9593089 0.88 DRD4 (0.79) DRD4MCHR1KMT2AMEN1DRD2
SCHEMBL8786936 0.87 DRD4 (1.00) DRD4MCHR1KMT2AMEN1DRD2
Panuramine SCHEMBL2037759 0.87 MCHR1 (0.83) DRD4MCHR1KMT2AMEN1CCR3
SCHEMBL9591760 0.86 KMT2A (0.83) DRD4MCHR1KMT2AMEN1CCR3
Panuramine SCHEMBL9749426 0.86 MCHR1 (0.81) DRD4MCHR1KMT2AMEN1CCR3
SCHEMBL9590759 0.86 DRD4 (0.75) DRD4MCHR1KMT2AMEN1CCR3
SCHEMBL9591275 0.85 DRD4 (0.73) DRD4MCHR1KMT2AMEN1CCR3
SCHEMBL9591654 0.84 DRD4 (0.84) DRD4MCHR1KMT2AMEN1DRD2
SCHEMBL9591919 0.84 DRD4 (0.72) DRD4MCHR1KMT2AMEN1CCR3
SCHEMBL9592418 0.83 DRD4 (0.79) DRD4MCHR1KMT2AMEN1DRD2

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 9 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
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