SCHEMBL9353307

SCHEMBL9353307

Cc1ccc(C(OC2CCN(OC(=O)/C=C/C(=O)ON3CCC(OC(c4ccccc4)c4ccc(C)cc4)CC3)CC2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.52
SLC6A2 P23975 4/20 0.52
CHRM2 P08172 3/20 0.52
ADRA2A P08913 3/20 0.52
CHRM1 P11229 3/20 0.52
DRD1 P21728 3/20 0.52
ADRA1A P35348 3/20 0.52
DRD3 P35462 3/20 0.52
KCNH2 Q12809 3/20 0.52
HTR1A P08908 2/20 0.52
OPRM1 P35372 2/20 0.52
CYP2D6 P10635 2/20 0.52
HRH3 Q9Y5N1 1/20 0.52
MAPK1 P28482 1/20 0.51
EPHX2 P34913 1/20 0.44
BCHE P06276 2/20 0.44
SLC6A4 P31645 3/20 0.43
GRM5 P41594 1/20 0.43
GRM7 Q14831 1/20 0.43
GRM3 Q14832 1/20 0.43

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
SCHEMBL9353364 0.95 SLC6A3 (0.43) SLC6A3SLC6A2CHRM2ADRA2ACHRM1
SCHEMBL9353460 0.88 CHRM2 (0.50) SLC6A3SLC6A2CHRM2ADRA2ACHRM1
SCHEMBL9356763 0.87 SLC6A2 (0.57) SLC6A3SLC6A2CHRM2ADRA2ACHRM1
SCHEMBL9352895 0.87 CHRM2 (0.49) SLC6A3SLC6A2CHRM2ADRA2ACHRM1
SCHEMBL9353009 0.85 CHRM2 (0.47) SLC6A3SLC6A2CHRM2ADRA2ACHRM1
SCHEMBL9353045 0.85 CHRM2 (0.47) SLC6A3SLC6A2CHRM2ADRA2ACHRM1
SCHEMBL9353056 0.84 SLC6A2 (0.45) SLC6A3SLC6A2CHRM2ADRA2ACHRM1
SCHEMBL9357047 0.83 BCHE (0.52) SLC6A3SLC6A2CHRM2ADRA2ACHRM1
Maleic Acid SCHEMBL9353012 0.82 SLC6A3 (0.68) SLC6A3SLC6A2CHRM2ADRA2ACHRM1
SCHEMBL9356595 0.81 SLC6A3 (0.58) SLC6A3SLC6A2CHRM2ADRA2ACHRM1

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