SCHEMBL9531549

SCHEMBL9531549

CCOC(=O)/C=C/CN1CCC(OC(c2ccc(Cl)cc2)c2ccccn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
BCHE P06276 3/20 0.43
DRD2 P14416 5/20 0.41
FAAH O00519 4/20 0.40
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2B P18089 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
HRH1 P35367 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.38

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
SCHEMBL9531554 1.00 POLB (0.44) POLBBCHEDRD2FAAHLMNA
SCHEMBL29631806 0.84 NOS2 (0.51) POLBFAAHLMNACHRM2ADRA2B
SCHEMBL20900383 0.84 NOS2 (0.51) POLBFAAHLMNACHRM2ADRA2B
SCHEMBL20898384 0.84 NOS2 (0.51) POLBFAAHLMNACHRM2ADRA2B
SCHEMBL9531338 0.83 BCHE (0.49) POLBBCHEDRD2
SCHEMBL9532009 0.82 BCHE (0.51) BCHEDRD2LMNACHRM2ADRA2B
SCHEMBL13233182 0.82 BCHE (0.51) BCHEDRD2LMNACHRM2ADRA2B
SCHEMBL9515724 0.81 BCHE (0.48) BCHEDRD2LMNACHRM2ADRA2B
SCHEMBL9515752 0.81 BCHE (0.48) BCHEDRD2LMNACHRM2ADRA2B
SCHEMBL28850344 0.80 FAAH (0.43) POLBBCHEDRD2FAAHLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4929618-A ANTIALLERGENS, ANTIHISTAMINES UBE INDUSTRIES, LTD. (JP) 1990-05-29 US claimed
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