SCHEMBL324374

SCHEMBL324374

CC(C)CC(C)CC(C)(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
MAPK1 P28482 2/20 0.35
CACNA1F O60840 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRA2B P18089 1/20 0.35
CHRM3 P20309 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
OPRK1 P41145 1/20 0.35
CACNA1D Q01668 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
SCN5A Q14524 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.34
HIF1A Q16665 2/20 0.34

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
SCHEMBL6681969 0.83 TAAR1 (0.54) TAAR1MAPK1CYP3A4CYP2D6CYP2C19
SCHEMBL1491210 0.76 CYP2C19 (0.47) TAAR1CACNA1FOPRK1CACNA1DKCNH2
SCHEMBL4399836 0.75 TAAR1 (0.50) TAAR1MAPK1CACNA1FOPRK1CACNA1D
SCHEMBL4399833 0.75 TAAR1 (0.50) TAAR1MAPK1CACNA1FOPRK1CACNA1D
SCHEMBL10831632 0.75 TAAR1 (0.56) TAAR1SLC6A3
SCHEMBL113841 0.75 TAAR1 (0.50) TAAR1MAPK1CACNA1FOPRK1CACNA1D
SCHEMBL1019329 0.73 RIPK1 (0.52) TAAR1MAPK1CACNA1FCHRM2CHRM1
Acetic Acid SCHEMBL1940956 0.73 CYP2C19 (0.44) TAAR1CACNA1FOPRK1CACNA1DKCNH2
SCHEMBL18540489 0.72 TAAR1 (0.47) TAAR1MAPK1CYP3A4CYP2D6CYP2C19
SCHEMBL9858439 0.72 TAAR1 (0.47) TAAR1MAPK1CACNA1FOPRK1CACNA1D

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590973-B1 SOLIFENACIN SALTS CRYSTAL PHARMA SAU (ES) 2016-08-31 EP disclosed
US-8765785-B2 Solifenacin salts CRYSTAL PHARMA, S.A.U. (ES) 2014-07-01 US disclosed
US-20130203804-A1 SOLIFENACIN SALTS CRYSTAL PHARMA, S.A.U. (ES) 2013-08-08 US disclosed
EP-2590973-A1 SOLIFENACIN SALTS Crystal Pharma S.A.U (ES) 2013-05-15 EP disclosed
WO-2012079583-A1 SYSTEM PROVIDING CONTROLLED DELIVERY OF GASEOUS CO FOR CARBONYLATION REACTIONS AARHUS UNIVERSITET (DK) 2012-06-21 WO disclosed
WO-2012004264-A1 SOLIFENACIN SALTS RAGACTIVES, S.L.U. (ES) 2012-01-12 WO disclosed
WO-2010031408-A2 GEL COMPOSITIONS AARHUS UNIVERSITET (DK) 2010-03-25 WO disclosed