SCHEMBL9563308

SCHEMBL9563308

Cc1ccc(NS(C)(=O)=O)c(OCCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.48
PARP14 Q460N5 1/20 0.47
SLC6A2 P23975 3/20 0.44
CHRM2 P08172 2/20 0.44
HTR1A P08908 2/20 0.44
ADRA2A P08913 2/20 0.44
CHRM1 P11229 2/20 0.44
DRD1 P21728 2/20 0.44
ADRA1A P35348 2/20 0.44
DRD3 P35462 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KCNH2 Q12809 2/20 0.44
LMNA P02545 2/20 0.44
CHRM3 P20309 2/20 0.44
NPC1 O15118 1/20 0.44
MLNR O43193 1/20 0.44
NR1I2 O75469 1/20 0.44
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
FYN P06241 1/20 0.44

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
SCHEMBL9563199 0.93 BCHE (0.48) BCHEPARP14SLC6A2CHRM2HTR1A
SCHEMBL9563184 0.91 BCHE (0.48) BCHEPARP14SLC6A2CHRM2HTR1A
SCHEMBL9563285 0.90 BCHE (0.46) BCHEPARP14SLC6A2CHRM2HTR1A
SCHEMBL9563272 0.90 BCHE (0.53) BCHEPARP14SLC6A2CHRM2HTR1A
SCHEMBL9563263 0.90 BCHE (0.52) BCHEPARP14SLC6A2CHRM2HTR1A
Hydrochloric Acid SCHEMBL9563254 0.89 BCHE (0.51) BCHEPARP14SLC6A2CHRM2HTR1A
SCHEMBL9563179 0.87 BCHE (0.56) BCHEPARP14SLC6A2CHRM2HTR1A
SCHEMBL9563339 0.86 BCHE (0.55) BCHEPARP14SLC6A2CHRM2HTR1A
SCHEMBL9563225 0.85 HTR1A (0.48) BCHEPARP14SLC6A2CHRM2HTR1A
SCHEMBL9563309 0.85 BCHE (0.55) BCHEPARP14SLC6A2CHRM2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0529365-A1 Diarylmethoxypiperidine derivatives Kaken Pharmaceutical Co., Ltd. (JP) 1993-03-03 EP disclosed
US-5190959-A Antihistamines, antiallergens, treatment of ischemic heart disease KAKEN PHARMACEUTICAL CO. LTD. (JP) 1993-03-02 US disclosed