SCHEMBL9353071

SCHEMBL9353071

COc1ccc(C(OC2CCN(C(=O)O)CC2)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
CYP2D6 P10635 1/20 0.56
CHRM1 P11229 1/20 0.56
DRD1 P21728 1/20 0.56
SLC6A2 P23975 1/20 0.56
ADRA1A P35348 1/20 0.56
OPRM1 P35372 1/20 0.56
DRD3 P35462 1/20 0.56
SLC6A3 Q01959 1/20 0.56
KCNH2 Q12809 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
MAPK1 P28482 1/20 0.55
EPHX2 P34913 2/20 0.52
MGLL Q99685 1/20 0.51
GRM5 P41594 1/20 0.47
GRM7 Q14831 1/20 0.47
GRM3 Q14832 1/20 0.47
CACNA2D1 P54289 2/20 0.46

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
SCHEMBL9926016 0.89 SLC6A2 (0.64) CHRM2HTR1AADRA2ACYP2D6CHRM1
SCHEMBL9356595 0.87 SLC6A3 (0.58) CHRM2HTR1AADRA2ACYP2D6CHRM1
SCHEMBL9356796 0.86 CHRM2 (0.52) CHRM2HTR1AADRA2ACYP2D6CHRM1
SCHEMBL9356782 0.84 MEN1 (0.56) CHRM2HTR1AADRA2ACYP2D6CHRM1
SCHEMBL9352924 0.84 BCHE (0.56) CHRM2HTR1AADRA2ACYP2D6CHRM1
SCHEMBL9352819 0.84 CHRM2 (0.52) CHRM2HTR1AADRA2ACYP2D6CHRM1
SCHEMBL9353165 0.84 CHRM2 (0.55) CHRM2HTR1AADRA2ACYP2D6CHRM1
SCHEMBL9352702 0.84 CHRM2 (0.62) CHRM2HTR1AADRA2ACYP2D6CHRM1
SCHEMBL9353460 0.82 CHRM2 (0.50) CHRM2HTR1AADRA2ACYP2D6CHRM1
SCHEMBL9353283 0.82 CHRM2 (0.55) CHRM2HTR1AADRA2ACYP2D6CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0399414-B1 Piperidine derivative, method for preparation thereof, and a pharmaceutical composition comprising the same HOKURIKU PHARMACEUTICAL (JP) 1994-09-21 EP disclosed
US-5153207-A Antihistamine and antiallergic agent HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1992-10-06 US disclosed
EP-0399414-A1 Piperidine derivative, method for preparation thereof, and a pharmaceutical composition comprising the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1990-11-28 EP disclosed