SCHEMBL7384103

SCHEMBL7384103

CCC/N=c1\scc(C2(c3ccc4ccccc4c3)CCC2)n1CCC

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.35
SLC6A4 P31645 12/20 0.33
SLC6A3 Q01959 11/20 0.33
SLC6A2 P23975 10/20 0.33
CYP2D6 P10635 4/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL7384105 1.00 OPRM1 (0.35) OPRM1SLC6A4SLC6A3SLC6A2CYP2D6
Bromide SCHEMBL7384756 0.99 OPRM1 (0.34) OPRM1SLC6A4SLC6A3SLC6A2CYP2D6
Bromide SCHEMBL7384759 0.99 OPRM1 (0.34) OPRM1SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL7380710 0.90 ALDH1A1 (0.32) OPRM1SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL7380713 0.90 ALDH1A1 (0.32) OPRM1SLC6A4SLC6A3SLC6A2CYP2D6
Bromide SCHEMBL7384800 0.89 ALDH1A1 (0.32) OPRM1SLC6A4SLC6A3SLC6A2CYP2D6
Bromide SCHEMBL7384802 0.89 ALDH1A1 (0.32) OPRM1SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL7382048 0.85 SLC6A4 (0.36) OPRM1SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL7382049 0.85 SLC6A4 (0.36) OPRM1SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL7382401 0.84 SLC6A4 (0.35) OPRM1SLC6A4SLC6A3SLC6A2

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
EP-0970090-B1 SUBSTITUTED 4-ARYLMETHYLENE-2-IMINO-2,3-DIHYDROTHIAZOLES AND DERIVATIVES AND THEIR PHARMACEUTICAL USE KNOLL GMBH (DE) 2002-06-05 EP claimed
US-6187802-B1 3-(1-(3,4-DICHLOROPHENYL)CYCLOBUTYL)-5,6-DIHYDROIMIDAZO(2,1-B) THIAZOLE, FOR EXAMPLE; ADMINISTERING TO TREAT DEPRESSION, ANXIETY, PARKINSON'S DISEASE, OBESITY, COGNITIVE DISORDERS, SEIZURES, AND FOR NEUROPROTECTION AGAINST STROKE KNOLL AKTIENGESELLSCHAFT (DE) 2001-02-13 US claimed
EP-0970090-A1 SUBSTITUTED 4-ARYLMETHYLENE-2-IMINO-2,3-DIHYDROTHIAZOLES AND DERIVATIVES AND THEIR PHARMACEUTICAL USE Knoll AG (DE) 2000-01-12 EP claimed
WO-1998041528-A1 SUBSTITUTED 4-ARYLMETHYLENE-2-IMINO-2,3-DIHYDROTHIAZOLES AND DERIVATIVES AND THEIR PHARMACEUTICAL USE KNOLL AKTIENGESELLSCHAFT (DE) 1998-09-24 WO claimed
EP-0970090-B1 SUBSTITUTED 4-ARYLMETHYLENE-2-IMINO-2,3-DIHYDROTHIAZOLES AND DERIVATIVES AND THEIR PHARMACEUTICAL USE KNOLL GMBH (DE) 2002-06-05 EP disclosed
US-6187802-B1 3-(1-(3,4-DICHLOROPHENYL)CYCLOBUTYL)-5,6-DIHYDROIMIDAZO(2,1-B) THIAZOLE, FOR EXAMPLE; ADMINISTERING TO TREAT DEPRESSION, ANXIETY, PARKINSON'S DISEASE, OBESITY, COGNITIVE DISORDERS, SEIZURES, AND FOR NEUROPROTECTION AGAINST STROKE KNOLL AKTIENGESELLSCHAFT (DE) 2001-02-13 US disclosed