SCHEMBL9563200

SCHEMBL9563200

Nc1ccccc1OCCCN1CCC(OC(c2ccsc2)c2cccs2)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.40
BCHE P06276 6/20 0.38
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
HPGDS O60760 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTR1A P08908 1/20 0.34

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
SCHEMBL9563416 0.92 PARP14 (0.46) PARP14BCHEOPRM1OPRD1HPGDS
SCHEMBL9563186 0.91 PARP14 (0.48) PARP14BCHEOPRM1HPGDSLMNA
Hydrochloric Acid SCHEMBL9563234 0.91 PARP14 (0.45) PARP14BCHEOPRM1OPRD1HPGDS
SCHEMBL9563209 0.91 PARP14 (0.42) PARP14BCHEHPGDSALDH1A1LMNA
SCHEMBL9563295 0.89 PARP14 (0.50) PARP14BCHEOPRM1OPRD1HPGDS
SCHEMBL9563261 0.85 CYP2D6 (0.48) PARP14BCHEOPRM1OPRD1ALDH1A1
SCHEMBL9563175 0.85 PARP14 (0.42) PARP14BCHEHPGDSHTR1A
Hydrochloric Acid SCHEMBL9563338 0.85 CYP2D6 (0.48) PARP14BCHEOPRM1OPRD1ALDH1A1
SCHEMBL9563260 0.83 CHRM3 (0.39) PARP14BCHEHTR1A
SCHEMBL9563171 0.83 PARP14 (0.43) PARP14BCHEOPRM1OPRD1HPGDS

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