SCHEMBL9563340

SCHEMBL9563340

CS(=O)(=O)Nc1ccccc1OCCCN1CCC(OC(c2cccnc2)c2ccsc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.40
HTR7 P34969 2/20 0.40
PARP14 Q460N5 1/20 0.39
BCHE P06276 7/20 0.38
CHRM3 P20309 5/20 0.36
ADRB2 P07550 3/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
HPGDS O60760 1/20 0.35
NPC1 O15118 1/20 0.35
MLNR O43193 1/20 0.35
NR1I2 O75469 1/20 0.35
EGFR P00533 1/20 0.35
LMNA P02545 1/20 0.35
ERBB2 P04626 1/20 0.35
FYN P06241 1/20 0.35

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
SCHEMBL9563304 0.92 BCHE (0.41) HTR1AHTR7PARP14BCHECHRM3
SCHEMBL9565887 0.91 BCHE (0.45) HTR1APARP14BCHECHRM3ADRB2
SCHEMBL9563305 0.91 PARP14 (0.47) HTR1AHTR7PARP14BCHECHRM3
SCHEMBL9563256 0.88 HTR1A (0.40) HTR1AHTR7PARP14BCHECHRM3
SCHEMBL9563260 0.85 CHRM3 (0.39) HTR1AHTR7PARP14BCHECHRM3
SCHEMBL9563171 0.84 PARP14 (0.43) HTR1APARP14BCHECHRM3OPRM1
SCHEMBL9563384 0.84 PARP14 (0.49) HTR1APARP14BCHECHRM3ADRB2
SCHEMBL9563263 0.84 BCHE (0.52) HTR1APARP14BCHECHRM3MEN1
Hydrochloric Acid SCHEMBL9563254 0.83 BCHE (0.51) HTR1APARP14BCHECHRM3MEN1
SCHEMBL9563325 0.82 CYP2D6 (0.46) PARP14BCHEALDH1A1HPGDSNPC1

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