SCHEMBL8316368

SCHEMBL8316368

CCOC(=O)C1CCN(CCCCl)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.58
KCNH2 Q12809 3/20 0.56
MAPT P10636 3/20 0.53
KDM4E B2RXH2 3/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.51
LTA4H P09960 1/20 0.51
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL1440000 0.90 MAPT (0.55) HRH3KCNH2MAPTKDM4EKMT2A
Hydrochloric Acid SCHEMBL20139479 0.89 MAPT (0.54) HRH3KCNH2MAPTKDM4EKMT2A
SCHEMBL6950591 0.87 MAPT (0.55) HRH3KCNH2MAPTKDM4ELMNA
SCHEMBL15569388 0.87 MAPT (0.62) KCNH2MAPTKDM4ELMNALTA4H
SCHEMBL6973109 0.84 KCNH2 (0.55) HRH3KCNH2MAPTKDM4ELMNA
SCHEMBL22301206 0.84 KCNH2 (0.55) HRH3KCNH2MAPTKDM4ELMNA
SCHEMBL11454925 0.84 LMNA (0.54) HRH3KCNH2MAPTKMT2ALMNA
SCHEMBL30414662 0.84 MAPT (0.55) KCNH2MAPTKDM4ELMNALTA4H
SCHEMBL4172495 0.83 MAPT (0.58) KCNH2MAPTKDM4ELMNALTA4H
Hydrochloric Acid SCHEMBL6751953 0.83 KCNH2 (0.55) HRH3KCNH2MAPTKDM4EKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
US-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed
EP-0536419-A1 TRICYCLIC TRIAZOLE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1993-04-14 EP disclosed