SCHEMBL9563305

SCHEMBL9563305

CS(=O)(=O)Nc1ccccc1OCCCN1CCC(OC(c2ccccc2)c2cccnc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.47
BCHE P06276 9/20 0.45
HTR1A P08908 4/20 0.43
HTR7 P34969 2/20 0.43
HPGDS O60760 1/20 0.42
CHRM2 P08172 2/20 0.42
ADRA2A P08913 2/20 0.42
CHRM1 P11229 2/20 0.42
DRD1 P21728 2/20 0.42
SLC6A2 P23975 2/20 0.42
ADRA1A P35348 2/20 0.42
DRD3 P35462 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KCNH2 Q12809 2/20 0.42
NPC1 O15118 1/20 0.42
MLNR O43193 1/20 0.42
NR1I2 O75469 1/20 0.42
EGFR P00533 1/20 0.42
LMNA P02545 1/20 0.42
ERBB2 P04626 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
SCHEMBL9563384 0.92 PARP14 (0.49) PARP14BCHEHTR1AHPGDSCHRM2
SCHEMBL9563263 0.92 BCHE (0.52) PARP14BCHEHTR1AHPGDSCHRM2
SCHEMBL9563340 0.91 HTR1A (0.40) PARP14BCHEHTR1AHTR7HPGDS
Hydrochloric Acid SCHEMBL9563254 0.91 BCHE (0.51) PARP14BCHEHTR1AHPGDSCHRM2
SCHEMBL9563256 0.90 HTR1A (0.40) PARP14BCHEHTR1AHTR7CHRM3
SCHEMBL9563179 0.89 BCHE (0.56) PARP14BCHEHTR1AHPGDSCHRM2
SCHEMBL9563339 0.89 BCHE (0.55) PARP14BCHEHTR1AHPGDSCHRM2
SCHEMBL9563184 0.88 BCHE (0.48) PARP14BCHEHTR1AHPGDSCHRM2
SCHEMBL9563225 0.87 HTR1A (0.48) PARP14BCHEHTR1AHTR7CHRM2
SCHEMBL9563204 0.87 PARP14 (0.45) PARP14BCHEHTR1AHPGDSCHRM2

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