SCHEMBL9563173

SCHEMBL9563173

CS(=O)(=O)Nc1ccccc1OCCCN1CCC(OC(c2ccccc2)c2ccccc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.45
PARP14 Q460N5 1/20 0.43
ADRB2 P07550 5/20 0.42
CHRM3 P20309 5/20 0.42
HTR1A P08908 3/20 0.42
HTR7 P34969 3/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR6 P50406 1/20 0.42

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
SCHEMBL9563263 0.91 BCHE (0.52) BCHEPARP14CHRM3HTR1ADRD2
SCHEMBL9563229 0.90 BCHE (0.44) BCHEPARP14ADRB2CHRM3HTR1A
Hydrochloric Acid SCHEMBL9563254 0.90 BCHE (0.51) BCHEPARP14CHRM3HTR1ADRD2
SCHEMBL9563309 0.90 BCHE (0.55) BCHEPARP14CHRM3HTR1ADRD2
SCHEMBL9563179 0.88 BCHE (0.56) BCHEPARP14ADRB2CHRM3HTR1A
SCHEMBL9563339 0.87 BCHE (0.55) BCHEPARP14ADRB2CHRM3HTR1A
SCHEMBL9563184 0.87 BCHE (0.48) BCHEPARP14ADRB2CHRM3HTR1A
SCHEMBL9563225 0.86 HTR1A (0.48) BCHEPARP14ADRB2CHRM3HTR1A
SCHEMBL9563384 0.86 PARP14 (0.49) BCHEPARP14ADRB2CHRM3HTR1A
SCHEMBL9600620 0.85 BCHE (0.46) BCHEPARP14ADRB2CHRM3HTR1A

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