SCHEMBL9563171

SCHEMBL9563171

Nc1ccccc1OCCCN1CCC(OC(c2cccnc2)c2ccsc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.43
BCHE P06276 9/20 0.40
HPGDS O60760 1/20 0.39
FAAH O00519 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
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
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
ABCB1 P08183 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR1A P08908 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 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
SCHEMBL9563416 0.91 PARP14 (0.46) PARP14BCHEHPGDSOPRM1OPRD1
SCHEMBL9563307 0.90 PARP14 (0.52) PARP14BCHEHPGDSFAAHOPRM1
SCHEMBL9563295 0.90 PARP14 (0.50) PARP14BCHEHPGDSOPRM1OPRD1
Hydrochloric Acid SCHEMBL9563234 0.90 PARP14 (0.45) PARP14BCHEHPGDSOPRM1OPRD1
SCHEMBL9563175 0.86 PARP14 (0.42) PARP14BCHEHPGDSHTR1A
SCHEMBL9563325 0.86 CYP2D6 (0.46) PARP14BCHEHPGDSNPC1HTT
SCHEMBL9563340 0.84 HTR1A (0.40) PARP14BCHEHPGDSOPRM1OPRD1
SCHEMBL9563200 0.83 PARP14 (0.40) PARP14BCHEHPGDSOPRM1OPRD1
SCHEMBL9563357 0.81 PARP14 (0.55) PARP14BCHEHPGDSOPRM1NPC1
SCHEMBL9563205 0.81 PARP14 (0.58) PARP14BCHEHPGDSOPRM1NPC1

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