SCHEMBL9563209

SCHEMBL9563209

Nc1ccccc1OCCCN1CCC(OC(c2cccs2)c2cccs2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.42
BCHE P06276 4/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
DRD4 P21917 1/20 0.38
HPGDS O60760 1/20 0.37
LTA4H P09960 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL9563186 0.94 PARP14 (0.48) PARP14BCHELMNACYP2D6DRD4
SCHEMBL9563200 0.91 PARP14 (0.40) PARP14BCHEALDH1A1LMNAHPGDS
SCHEMBL9563175 0.88 PARP14 (0.42) PARP14BCHEHPGDSHTR7
SCHEMBL9563205 0.83 PARP14 (0.58) PARP14BCHELMNACYP2D6DRD4
SCHEMBL9563202 0.83 CYP2D6 (0.55) PARP14BCHEALDH1A1CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL9563342 0.82 CYP2D6 (0.54) PARP14BCHEALDH1A1CYP2D6CYP2C19
SCHEMBL9563416 0.82 PARP14 (0.46) PARP14BCHEALDH1A1LMNACYP2D6
Hydrochloric Acid SCHEMBL9563234 0.81 PARP14 (0.45) PARP14BCHEALDH1A1LMNACYP2D6
SCHEMBL9563213 0.81 HTR7 (0.40) PARP14BCHEALDH1A1HTR7
SCHEMBL9563310 0.81 BCHE (0.57) PARP14BCHEALDH1A1LMNACYP2D6

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