SCHEMBL7380713

SCHEMBL7380713

CCCCN=c1scc(C2(c3ccc4ccccc4c3)CCC2)n1CCCC

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC6A4 P31645 9/20 0.32
SLC6A3 Q01959 9/20 0.32
SLC6A2 P23975 8/20 0.32
CYP2D6 P10635 4/20 0.32
OPRM1 P35372 2/20 0.32
MEN1 O00255 1/20 0.31
PSMD14 O00487 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
OPRD1 P41143 1/20 0.31

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
SCHEMBL7380710 1.00 ALDH1A1 (0.32) ALDH1A1CYP1A2CYP2C19SLC6A4SLC6A3
Bromide SCHEMBL7384802 0.99 ALDH1A1 (0.32) ALDH1A1CYP1A2CYP2C19SLC6A4SLC6A3
Bromide SCHEMBL7384800 0.99 ALDH1A1 (0.32) ALDH1A1CYP1A2CYP2C19SLC6A4SLC6A3
SCHEMBL7384105 0.90 OPRM1 (0.35) SLC6A4SLC6A3SLC6A2CYP2D6OPRM1
SCHEMBL7384103 0.90 OPRM1 (0.35) SLC6A4SLC6A3SLC6A2CYP2D6OPRM1
Bromide SCHEMBL7384756 0.89 OPRM1 (0.34) SLC6A4SLC6A3SLC6A2CYP2D6OPRM1
Bromide SCHEMBL7384759 0.89 OPRM1 (0.34) SLC6A4SLC6A3SLC6A2CYP2D6OPRM1
SCHEMBL7376782 0.85 HSD11B1 (0.37) ALDH1A1CYP1A2CYP2C19CYP2D6GAA
SCHEMBL7376785 0.85 HSD11B1 (0.37) ALDH1A1CYP1A2CYP2C19CYP2D6GAA
SCHEMBL7388173 0.85 SLC6A4 (0.36) ALDH1A1CYP1A2CYP2C19SLC6A4SLC6A3

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 8 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
EP-0970090-A1 SUBSTITUTED 4-ARYLMETHYLENE-2-IMINO-2,3-DIHYDROTHIAZOLES AND DERIVATIVES AND THEIR PHARMACEUTICAL USE Knoll AG (DE) 2000-01-12 EP disclosed
WO-1998041528-A1 SUBSTITUTED 4-ARYLMETHYLENE-2-IMINO-2,3-DIHYDROTHIAZOLES AND DERIVATIVES AND THEIR PHARMACEUTICAL USE KNOLL AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed