SCHEMBL9563335

SCHEMBL9563335

CS(=O)(=O)Nc1ccccc1OCCCN1CCC(OC(c2ccccc2)c2cccs2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.43
PARP14 Q460N5 1/20 0.43
CHRM3 P20309 6/20 0.41
ADRB2 P07550 4/20 0.41
NPC1 O15118 1/20 0.40
MLNR O43193 1/20 0.40
NR1I2 O75469 1/20 0.40
EGFR P00533 1/20 0.40
LMNA P02545 1/20 0.40
ERBB2 P04626 1/20 0.40
FYN P06241 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
ABCB1 P08183 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
CHRM5 P08912 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL9563213 0.95 HTR7 (0.40) BCHEPARP14CHRM3ADRB2HTR1A
SCHEMBL9563260 0.92 CHRM3 (0.39) BCHEPARP14CHRM3ADRB2HTR1A
SCHEMBL9563256 0.91 HTR1A (0.40) BCHEPARP14CHRM3ADRB2HTR1A
SCHEMBL9563263 0.90 BCHE (0.52) BCHEPARP14CHRM3NPC1MLNR
Hydrochloric Acid SCHEMBL9563254 0.89 BCHE (0.51) BCHEPARP14CHRM3NPC1MLNR
SCHEMBL9563179 0.88 BCHE (0.56) BCHEPARP14CHRM3ADRB2NPC1
SCHEMBL9563384 0.87 PARP14 (0.49) BCHEPARP14CHRM3ADRB2NPC1
SCHEMBL9563259 0.87 MEN1 (0.35) LMNACHRM2HTR1AADRA2ACHRM1
SCHEMBL9563187 0.87 CCR5 (0.38) BCHECHRM3ADRB2NPC1MLNR
SCHEMBL9563339 0.87 BCHE (0.55) BCHEPARP14CHRM3ADRB2NPC1

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