SCHEMBL9563241

SCHEMBL9563241

CS(=O)(=O)Nc1ccccc1OCCCN1CCC(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.53
HTR1A P08908 3/20 0.49
HTR7 P34969 3/20 0.49
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
HTR6 P50406 1/20 0.49
CHRM3 P20309 5/20 0.47
SLC6A3 Q01959 2/20 0.45
ADRB2 P07550 3/20 0.44
PARP14 Q460N5 1/20 0.44
SLC6A4 P31645 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
SCHEMBL9563263 0.93 BCHE (0.52) BCHEHTR1ADRD2HTR2AHTR6
Hydrochloric Acid SCHEMBL9563254 0.92 BCHE (0.51) BCHEHTR1ADRD2HTR2AHTR6
SCHEMBL9563184 0.91 BCHE (0.48) BCHEHTR1ADRD2HTR2AHTR6
SCHEMBL9563179 0.90 BCHE (0.56) BCHEHTR1ADRD2HTR2AHTR6
SCHEMBL9563309 0.90 BCHE (0.55) BCHEHTR1ADRD2HTR2AHTR6
SCHEMBL9563272 0.90 BCHE (0.53) BCHEHTR1AHTR7DRD2HTR2A
SCHEMBL9563339 0.90 BCHE (0.55) BCHEHTR1ADRD2HTR2AHTR6
SCHEMBL9591248 0.89 BCHE (0.47) BCHEHTR1ADRD2HTR2AHTR6
SCHEMBL9563225 0.88 HTR1A (0.48) BCHEHTR1AHTR7DRD2HTR2A
SCHEMBL9563384 0.88 PARP14 (0.49) BCHEHTR1ADRD2HTR2AHTR6

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