SCHEMBL9532495

SCHEMBL9532495

OCCN1CCC(OC(c2ccc(Cl)cc2)c2ccccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.51
BCHE P06276 2/20 0.48
LMNA P02545 1/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2B P18089 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
HRH1 P35367 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
FAAH O00519 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
SCHEMBL9532269 0.89 DRD2 (0.51) DRD2BCHELMNACHRM2ADRA2B
SCHEMBL9533373 0.88 BCHE (0.52) DRD2BCHEFAAH
SCHEMBL12090256 0.87 DRD2 (0.49) DRD2BCHELMNACHRM2ADRA2B
Bepotastine SCHEMBL30200949 0.86 BCHE (0.55) DRD2BCHELMNACHRM2ADRA2B
Bepotastine SCHEMBL29440897 0.86 BCHE (0.55) DRD2BCHELMNACHRM2ADRA2B
SCHEMBL9531438 0.86 BCHE (0.53) DRD2BCHELMNACHRM2ADRA2B
Bepotastine SCHEMBL5151702 0.86 BCHE (0.55) DRD2BCHELMNACHRM2ADRA2B
Bepotastine SCHEMBL726880 0.86 BCHE (0.55) DRD2BCHELMNACHRM2ADRA2B
Bepotastine SCHEMBL29459 0.86 BCHE (0.55) DRD2BCHELMNACHRM2ADRA2B
SCHEMBL8583410 0.86 FAAH (0.53) DRD2LMNACHRM2ADRA2BSLC6A2

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-0335586-B1 PIPERIDINE & PIPERAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME UBE INDUSTRIES, LTD. (JP) 1993-06-02 EP disclosed
US-4929618-A ANTIALLERGENS, ANTIHISTAMINES UBE INDUSTRIES, LTD. (JP) 1990-05-29 US disclosed
EP-0335586-A1 Piperidine & piperazine derivatives, process for preparing the same and pharmaceutical compositions containing the same UBE INDUSTRIES, LTD. (JP) 1989-10-04 EP disclosed