SCHEMBL9563204

SCHEMBL9563204

CS(=O)(=O)Nc1ccccc1OCCCN1CCC(OC(c2ccccc2)c2ccccn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.45
BCHE P06276 10/20 0.44
HPGDS O60760 1/20 0.41
CHRM3 P20309 3/20 0.41
DRD2 P14416 3/20 0.41
CHRM2 P08172 2/20 0.41
HTR1A P08908 2/20 0.41
ADRA2A P08913 2/20 0.41
CHRM1 P11229 2/20 0.41
DRD1 P21728 2/20 0.41
SLC6A2 P23975 2/20 0.41
ADRA1A P35348 2/20 0.41
DRD3 P35462 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNH2 Q12809 2/20 0.41
NPC1 O15118 1/20 0.41
MLNR O43193 1/20 0.41
NR1I2 O75469 1/20 0.41
EGFR P00533 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL9557473 0.93 DRD2 (0.48) BCHECHRM3DRD2ADRB2
SCHEMBL9563263 0.91 BCHE (0.52) PARP14BCHEHPGDSCHRM3DRD2
Hydrochloric Acid SCHEMBL9563254 0.90 BCHE (0.51) PARP14BCHEHPGDSCHRM3DRD2
SCHEMBL9563384 0.90 PARP14 (0.49) PARP14BCHEHPGDSCHRM3DRD2
SCHEMBL9563179 0.88 BCHE (0.56) PARP14BCHEHPGDSCHRM3DRD2
SCHEMBL9563339 0.87 BCHE (0.55) PARP14BCHEHPGDSCHRM3DRD2
SCHEMBL9563305 0.87 PARP14 (0.47) PARP14BCHEHPGDSCHRM3DRD2
SCHEMBL9563184 0.87 BCHE (0.48) PARP14BCHEHPGDSCHRM3DRD2
SCHEMBL9563225 0.86 HTR1A (0.48) PARP14BCHECHRM3DRD2CHRM2
SCHEMBL9563309 0.86 BCHE (0.55) PARP14BCHECHRM3DRD2CHRM2

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