SCHEMBL15310068

SCHEMBL15310068

CCCOC(=O)C(OCCC)(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.58
CYP2D6 P10635 3/20 0.58
CHRM2 P08172 5/20 0.57
CHRM1 P11229 5/20 0.57
CHRM3 P20309 5/20 0.57
MLNR O43193 1/20 0.57
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
HRH1 P35367 1/20 0.57
OPRM1 P35372 1/20 0.57
DRD3 P35462 1/20 0.57
OPRK1 P41145 1/20 0.57
HTR2B P41595 1/20 0.57
SLC6A3 Q01959 1/20 0.57
KCNH2 Q12809 1/20 0.57
CACNA1C Q13936 1/20 0.57
LMNA P02545 4/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49

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
SCHEMBL28451511 0.89 CYP3A4 (0.61) CYP3A4CYP2D6CHRM2CHRM1CHRM3
SCHEMBL2488944 0.88 LMNA (0.50) CYP3A4CYP2D6CHRM2CHRM1CHRM3
SCHEMBL2443032 0.84 CHRM2 (0.54) CYP3A4CYP2D6CHRM2CHRM1CHRM3
SCHEMBL16732280 0.83 LMNA (0.51) CYP3A4CYP2D6CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL4541197 0.82 CHRM2 (0.52) CYP3A4CYP2D6CHRM2CHRM1CHRM3
SCHEMBL28668236 0.82 LMNA (0.55) CYP3A4CYP2D6CHRM2CHRM1CHRM3
SCHEMBL29242015 0.81 CHRM2 (0.50) CYP3A4CYP2D6CHRM2CHRM1CHRM3
SCHEMBL5158545 0.81 MEN1 (0.68) CYP3A4CYP2D6CHRM2CHRM1CHRM3
SCHEMBL16732185 0.81 LMNA (0.53) CYP3A4CYP2D6CHRM2CHRM1CHRM3
SCHEMBL4561863 0.81 CHRM2 (0.51) CYP3A4CYP2D6CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470504-B1 SYNTHESIS OF PROPIVERINE HYDROCHLORIDE ANDAGAR RAMAKRISHNA RAMESHA (IN) 2013-10-16 EP disclosed
EP-2470504-B1 SYNTHESIS OF PROPIVERINE HYDROCHLORIDE ANDAGAR RAMAKRISHNA RAMESHA (IN) 2013-10-16 EP disclosed