SCHEMBL7385148

SCHEMBL7385148

CC(=O)C1(c2cc3ccccc3s2)CCC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.53
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
THPO P40225 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL27540613 0.84 SIGMAR1 (0.49) SIGMAR1SLC6A3
SCHEMBL27780996 0.82 SIGMAR1 (0.59) SIGMAR1MEN1CYP3A4CYP2D6TSHR
SCHEMBL7495663 0.81 SIGMAR1 (0.49) SIGMAR1MEN1CYP3A4CYP2D6TSHR
SCHEMBL230653 0.81 SIGMAR1 (0.61) SIGMAR1MEN1CYP3A4CYP2D6TSHR
SCHEMBL23878715 0.76 SIGMAR1 (0.60) SIGMAR1MEN1CYP3A4CYP2D6TSHR
SCHEMBL27717160 0.71 SIGMAR1 (0.66) SIGMAR1MEN1CYP3A4CYP2D6TSHR
SCHEMBL7366815 0.70 HDAC1 (0.50) SLC6A3
SCHEMBL7253808 0.70 SIGMAR1 (0.43) SIGMAR1MEN1CYP3A4CYP2D6TSHR
SCHEMBL7382599 0.69 SIGMAR1 (0.55) SIGMAR1MEN1CYP3A4CYP2D6TSHR
SCHEMBL25168753 0.69 HRH4 (0.48) SIGMAR1MEN1CYP3A4CYP2D6TSHR

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 4 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 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