SCHEMBL9592126

SCHEMBL9592126

CC(c1cc2ccccc2o1)N1CCC(NC(=O)NC(=O)c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 2/20 0.51
▸ MCHR1 Q99705 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ EPHX1 P07099 1/20 0.44
▸ RAB9A P51151 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ ACKR3 P25106 1/20 0.42
▸ NPC1 O15118 2/20 0.40
▸ MAOB P27338 1/20 0.40
▸ F10 P00742 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CARM1 Q86X55 1/20 0.39
▸ PRMT6 Q96LA8 1/20 0.39

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
SCHEMBL9590597 0.81 DRD4 (0.67) DRD4MCHR1ALDH1A1EPHX1NPSR1
SCHEMBL10964860 0.73 DRD4 (0.53) DRD4MCHR1ALDH1A1EPHX1NPSR1
SCHEMBL16322087 0.72 DRD4 (0.69) DRD4EPHX1RAB9ANPSR1NPC1
SCHEMBL4502456 0.71 DRD4 (0.67) DRD4EPHX1RAB9ANPC1MEN1
SCHEMBL10965667 0.71 DRD4 (0.58) DRD4MCHR1ALDH1A1EPHX1
SCHEMBL13801318 0.70 DRD4 (0.66) DRD4MCHR1EPHX1RAB9ANPSR1
SCHEMBL18389994 0.70 HRH3 (0.67) DRD4MCHR1ALDH1A1RAB9ANPSR1
Panuramine SCHEMBL2037759 0.68 MCHR1 (0.83) DRD4MCHR1MEN1KMT2A
SCHEMBL20382014 0.68 NPSR1 (0.59) DRD4MCHR1ALDH1A1RAB9ANPSR1
Panuramine SCHEMBL9749426 0.67 MCHR1 (0.81) DRD4MCHR1MEN1KMT2A

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