SCHEMBL7668652

SCHEMBL7668652

CCc1ccc(CCc2[c]cccc2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
KCNH2 Q12809 3/20 0.37
TP53 P04637 1/20 0.35
GPR84 Q9NQS5 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
IDO1 P14902 2/20 0.31
CHKA P35790 1/20 0.31
CYP2A6 P11509 1/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31

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
SCHEMBL3092013 0.87 KCNH2 (0.46) TAAR1KCNH2GPR84L3MBTL1IDO1
SCHEMBL715204 0.85 KCNH2 (0.41) TAAR1KCNH2CYP2A6
SCHEMBL258549 0.79 TSHR (0.32) TAAR1
SCHEMBL216731 0.78
SCHEMBL7664369 0.78 NPC1 (0.37) TAAR1PTGS2
SCHEMBL819968 0.76 SKP2 (0.35) KCNH2
SCHEMBL815744 0.74 KCNH2 (0.40) KCNH2TP53GPR84L3MBTL1PTGS1
SCHEMBL8478011 0.73 TDP1 (0.33)
SCHEMBL984972 0.73 KCNH2 (0.43) KCNH2TP53GPR84L3MBTL1PTGS1
SCHEMBL980143 0.73 KCNH2 (0.43) KCNH2TP53GPR84L3MBTL1PTGS1

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
US-6395730-B1 CARDIOVASCULAR DISORDERS ICAGEN, INC. 2002-05-28 US disclosed
US-6174908-B1 TREATING DISEASE, CONDITION, OR DISORDER WHICH RESPONDS TO INHIBITION OF POTASSIUM CHANNEL FUNCTION BY ADMINISTERING THIAZOLIDONE OR METATHIAZONONE COMPOUND, ITS SALT, AMIDE, ESTER, COMPLEX, CHELATE, HYDRATE, STEREOISOMER, METABOLITE ICAGEN, INC. 2001-01-16 US disclosed