SCHEMBL8316065

SCHEMBL8316065

COc1ccccc1C(O)(c1ccccc1OC)C1CCN(CCCCl)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.52
CYP2J2 P51589 1/20 0.49
KCNH2 Q12809 2/20 0.49
MEN1 O00255 2/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
KMT2A Q03164 1/20 0.45
HRH1 P35367 4/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL8314114 0.84 HRH1 (0.50) CYP2J2KCNH2MEN1SLC6A2SLC6A4
SCHEMBL8317345 0.80 KCNH2 (0.54) PAX8CYP2J2KCNH2MEN1SLC6A2
SCHEMBL8311543 0.80 PAX8 (0.46) PAX8CYP2J2KCNH2MEN1SLC6A2
SCHEMBL8316153 0.78 CYP2J2 (0.60) PAX8CYP2J2KCNH2MEN1KMT2A
SCHEMBL16291199 0.78 KCNH2 (0.67) CYP2J2KCNH2MEN1SLC6A2SLC6A4
SCHEMBL10557081 0.74 PAX8 (0.60) PAX8CYP2J2KCNH2MEN1HRH1
SCHEMBL8315418 0.74 PAX8 (0.40) PAX8CYP2J2KCNH2SLC6A2SLC6A4
SCHEMBL11832136 0.74 CYP2J2 (0.79) CYP2J2KCNH2SLC6A2SLC6A4CHRM2
SCHEMBL7439663 0.73 KCNH2 (0.51) CYP2J2KCNH2MEN1SLC6A2SLC6A4
SCHEMBL8317518 0.72 HRH1 (0.58) CYP2J2KCNH2MEN1SLC6A2SLC6A4

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-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