SCHEMBL9593089

SCHEMBL9593089

O=C(NC(=O)c1ccccc1)NC1CCN(Cc2cccc(Br)c2)CC1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 5/20 0.79
▸ KMT2A Q03164 3/20 0.72
▸ SIGMAR1 Q99720 8/20 0.67
▸ MCHR1 Q99705 2/20 0.58
▸ MEN1 O00255 1/20 0.57
▸ DRD2 P14416 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
▸ CYP2C9 P11712 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ CYP2C19 P33261 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) DRD4KMT2ASIGMAR1MCHR1MEN1
SCHEMBL9590922 0.88 DRD4 (0.77) DRD4KMT2ASIGMAR1MCHR1MEN1
SCHEMBL9593263 0.87 DRD4 (0.79) DRD4KMT2ASIGMAR1MCHR1MEN1
SCHEMBL9592418 0.87 DRD4 (0.79) DRD4KMT2ASIGMAR1MCHR1MEN1
SCHEMBL9590831 0.84 DRD4 (0.74) DRD4SIGMAR1
SCHEMBL27448907 0.84 KMT2A (1.00) DRD4KMT2ASIGMAR1MCHR1MEN1
Panuramine SCHEMBL2037759 0.83 MCHR1 (0.83) DRD4KMT2ASIGMAR1MCHR1MEN1
SCHEMBL9593042 0.83 DRD4 (0.72) DRD4KMT2ASIGMAR1MCHR1MEN1
SCHEMBL9591760 0.83 KMT2A (0.83) DRD4KMT2ASIGMAR1MCHR1MEN1
Panuramine SCHEMBL9749426 0.83 MCHR1 (0.81) DRD4KMT2ASIGMAR1MCHR1MEN1

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
Send feedback