SCHEMBL9590831

SCHEMBL9590831

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

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 5/20 0.74
▸ SIGMAR1 Q99720 4/20 0.72
▸ UBE2M P61081 7/20 0.68
▸ DCUN1D1 Q96GG9 7/20 0.68
▸ CCR2 P41597 1/20 0.59
▸ LMNA P02545 1/20 0.57

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
SCHEMBL9592024 0.88 DRD4 (0.73) DRD4SIGMAR1UBE2MDCUN1D1
SCHEMBL8786936 0.86 DRD4 (1.00) DRD4SIGMAR1LMNA
SCHEMBL9593263 0.84 DRD4 (0.79) DRD4SIGMAR1
SCHEMBL9592418 0.84 DRD4 (0.79) DRD4SIGMAR1
SCHEMBL9593089 0.84 DRD4 (0.79) DRD4SIGMAR1
SCHEMBL18640301 0.81 DCUN1D1 (1.00) DRD4SIGMAR1UBE2MDCUN1D1
SCHEMBL9590922 0.81 DRD4 (0.77) DRD4SIGMAR1
Panuramine SCHEMBL2037759 0.81 MCHR1 (0.83) DRD4SIGMAR1
SCHEMBL9592321 0.81 DRD4 (0.80) DRD4SIGMAR1LMNA
SCHEMBL9593042 0.81 DRD4 (0.72) DRD4SIGMAR1

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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