SCHEMBL8630649

SCHEMBL8630649

O=C1CN(Cc2c(Cl)cccc2Cl)C(=O)N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
EPHX2 P34913 1/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
HTT P42858 2/20 0.42
CYP2A13 Q16696 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ACE P12821 1/20 0.40
MMP13 P45452 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
AHR P35869 1/20 0.39
COMT P21964 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
P2RX7 Q99572 1/20 0.37

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
SCHEMBL8633466 0.81 CYP1A2 (0.50) POLBEPHX2DDB1CRBNHTT
SCHEMBL8634033 0.79 EPHX2 (0.40) POLBEPHX2DDB1CRBNHTT
SCHEMBL1011633 0.77 DDB1 (0.69) POLBEPHX2DDB1CRBNALDH1A1
SCHEMBL9850086 0.77 DDB1 (0.69) POLBEPHX2DDB1CRBNALDH1A1
SCHEMBL9164640 0.75 EPHX2 (0.49) EPHX2DDB1CRBNKDM4EALDH1A1
SCHEMBL9850110 0.75 DDB1 (0.67) POLBEPHX2DDB1CRBNALDH1A1
SCHEMBL4513935 0.74 CYP2D6 (0.53) POLBNPSR1HTTCYP2A13KDM4E
SCHEMBL20189142 0.74 EPHX2 (0.47) POLBEPHX2DDB1CRBNALDH1A1
SCHEMBL21379819 0.73 EPHX2 (0.35) POLBEPHX2DDB1CRBNHTT
SCHEMBL4509503 0.72 MAPT (0.62) POLBNPSR1DDB1CRBNHTT

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-5817685-A ANTIEPILEPTIC AGENT ARZNEIMITTELWERK DRESDEN GMBH (DE) 1998-10-06 US claimed
EP-0850226-A1 NOVEL IMIDAZOLINE-2,4-DIONES WITH AN ORTHO-SUBSTITUTED AR(ALK)YL RADICAL IN POSITION 1, HAVING AN ANTI-CONVULSIVE EFFECT, AND PROCESS FOR THEIR PRODUCTION ARZNEIMITTELWERK DRESDEN GMBH (DE) 1998-07-01 EP claimed
WO-1997006149-A1 NOVEL IMIDAZOLINE-2,4-DIONES WITH AN ORTHO-SUBSTITUTED AR(ALK)YL RADICAL IN POSITION 1, HAVING AN ANTI-CONVULSIVE EFFECT, AND PROCESS FOR THEIR PRODUCTION ARZNEIMITTELWERK DRESDEN GMBH (DE) 1997-02-20 WO claimed
US-5817685-A ANTIEPILEPTIC AGENT ARZNEIMITTELWERK DRESDEN GMBH (DE) 1998-10-06 US disclosed
EP-0850226-A1 NOVEL IMIDAZOLINE-2,4-DIONES WITH AN ORTHO-SUBSTITUTED AR(ALK)YL RADICAL IN POSITION 1, HAVING AN ANTI-CONVULSIVE EFFECT, AND PROCESS FOR THEIR PRODUCTION ARZNEIMITTELWERK DRESDEN GMBH (DE) 1998-07-01 EP disclosed
WO-1997006149-A1 NOVEL IMIDAZOLINE-2,4-DIONES WITH AN ORTHO-SUBSTITUTED AR(ALK)YL RADICAL IN POSITION 1, HAVING AN ANTI-CONVULSIVE EFFECT, AND PROCESS FOR THEIR PRODUCTION ARZNEIMITTELWERK DRESDEN GMBH (DE) 1997-02-20 WO disclosed