SCHEMBL8316153

SCHEMBL8316153

COc1cccc(C(O)(c2ccccc2)C2CCN(CCCCl)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2J2 P51589 2/20 0.60
KCNH2 Q12809 3/20 0.58
MEN1 O00255 2/20 0.55
KMT2A Q03164 1/20 0.54
HRH1 P35367 6/20 0.54
NPY2R P49146 1/20 0.53
PAX8 Q06710 1/20 0.52

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
SCHEMBL8317345 0.86 KCNH2 (0.54) CYP2J2KCNH2MEN1KMT2AHRH1
SCHEMBL16291199 0.86 KCNH2 (0.67) CYP2J2KCNH2MEN1KMT2AHRH1
SCHEMBL8316749 0.85 HRH1 (0.63) CYP2J2KCNH2MEN1KMT2AHRH1
SCHEMBL9504605 0.82 HRH1 (0.64) HRH1
SCHEMBL9504518 0.82 SIGMAR1 (0.64) CYP2J2KCNH2HRH1NPY2R
Hydrochloric Acid SCHEMBL9787492 0.81 SIGMAR1 (0.62) CYP2J2KCNH2HRH1NPY2R
SCHEMBL10460762 0.80 KCNH2 (0.86) CYP2J2KCNH2MEN1KMT2AHRH1
SCHEMBL8317518 0.80 HRH1 (0.58) CYP2J2KCNH2MEN1KMT2AHRH1
SCHEMBL8311543 0.80 PAX8 (0.46) CYP2J2KCNH2MEN1KMT2AHRH1
SCHEMBL10459146 0.79 KCNH2 (0.56) CYP2J2KCNH2MEN1KMT2APAX8

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