SCHEMBL9353069

SCHEMBL9353069

CCOC(=O)CN1CCC(OC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.56
CHRM2 P08172 2/20 0.55
HTR1A P08908 2/20 0.55
ADRA2A P08913 2/20 0.55
CHRM1 P11229 2/20 0.55
DRD1 P21728 2/20 0.55
SLC6A2 P23975 2/20 0.55
ADRA1A P35348 2/20 0.55
DRD3 P35462 2/20 0.55
SLC6A3 Q01959 2/20 0.55
KCNH2 Q12809 2/20 0.55
CYP2D6 P10635 1/20 0.55
OPRM1 P35372 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55
MAPK1 P28482 1/20 0.53
GRM5 P41594 1/20 0.52
GRM7 Q14831 1/20 0.52
GRM3 Q14832 1/20 0.52
NPC1 O15118 1/20 0.51
MLNR O43193 1/20 0.51

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
SCHEMBL4254317 0.88 BCHE (0.59) BCHECHRM2HTR1AADRA2ACHRM1
SCHEMBL14282951 0.88 BCHE (0.54) BCHECHRM2HTR1AADRA2ACHRM1
Hydrochloric Acid SCHEMBL9356588 0.87 BCHE (0.58) BCHECHRM2HTR1AADRA2ACHRM1
Hydrochloric Acid SCHEMBL9357015 0.87 BCHE (0.51) BCHECHRM2ADRA2ACHRM1SLC6A2
SCHEMBL4021861 0.86 CHRM2 (0.63) BCHECHRM2HTR1AADRA2ACHRM1
SCHEMBL14282953 0.84 BCHE (0.59) BCHECHRM2HTR1AADRA2ACHRM1
Hydrochloric Acid SCHEMBL9353013 0.84 BCHE (0.64) BCHECHRM2HTR1AADRA2ACHRM1
SCHEMBL14282927 0.83 BACE1 (0.52) SLC6A2SLC6A3NPC1LMNASLC6A4
SCHEMBL4255064 0.83 TSHR (0.59) BCHECHRM2HTR1AADRA2ACHRM1
Hydrochloric Acid SCHEMBL9356762 0.83 MAPK1 (0.60) BCHECHRM2HTR1AADRA2ACHRM1

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