SCHEMBL4739129

SCHEMBL4739129

CCCN(CCC)CCc1cccc(N)c1CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.48
DRD2 P14416 5/20 0.41
DRD3 P35462 3/20 0.41
OPRM1 P35372 2/20 0.41
OPRK1 P41145 2/20 0.41
DRD1 P21728 2/20 0.41
DRD4 P21917 2/20 0.41
DRD5 P21918 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
HTR2A P28223 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL8189339 0.80 AKR1B1 (0.46) CYP2C9KDM4ELMNACYP2C19
SCHEMBL2011929 0.80 HTR1A (0.44) HTR1ADRD2DRD3OPRM1OPRK1
SCHEMBL6249226 0.79 HTR1A (0.60) HTR1ADRD2DRD3OPRM1OPRK1
Hydrochloric Acid SCHEMBL2012929 0.79 HTR1A (0.43) HTR1ADRD2DRD3OPRM1OPRK1
SCHEMBL28141464 0.77 AKR1B1 (0.50) CYP2C9KDM4ELMNACYP2C19ADRA1A
SCHEMBL9614492 0.76 AKR1B1 (0.43) CYP2C9KDM4ELMNACYP2C19CYP1A2
SCHEMBL7298930 0.76 HTR1A (0.59) HTR1ADRD2DRD3OPRM1OPRK1
SCHEMBL13618631 0.73 HTR1A (0.43) HTR1ADRD2DRD3OPRM1OPRK1
SCHEMBL997090 0.73 AKR1B1 (0.56) CYP2C9KDM4ELMNACYP2C19HSD17B10
SCHEMBL7299555 0.71 DRD2 (0.55) HTR1ADRD2DRD3OPRM1OPRK1

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
WO-2008084499-A1 AN INDUSTRIAL PROCESS FOR THE PREPARATION OF PURE ROPINIROLE IND-SWIFT LABORATORIES LIMITED (IN) 2008-07-17 WO disclosed
WO-2008084499-A1 AN INDUSTRIAL PROCESS FOR THE PREPARATION OF PURE ROPINIROLE IND-SWIFT LABORATORIES LIMITED (IN) 2008-07-17 WO disclosed
WO-2007010557-A2 PROCESS FOR THE PREPARATION OF HIGHLY PURE ROPINIROLE IND-SWIFT LABORATORIE LIMTED (IN) 2007-01-25 WO disclosed
WO-2007010557-A2 PROCESS FOR THE PREPARATION OF HIGHLY PURE ROPINIROLE IND-SWIFT LABORATORIE LIMTED (IN) 2007-01-25 WO disclosed