SCHEMBL13680557

SCHEMBL13680557

Cc1cccc(-c2ccc(C(F)(F)F)nc2)n1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 4/20 0.51
CYP2A6 P11509 1/20 0.50
PTGS2 P35354 2/20 0.47
CCR1 P32246 1/20 0.47
CCR8 P51685 1/20 0.47
TGFBR1 P36897 3/20 0.47
KCNH2 Q12809 2/20 0.45
SCN9A Q15858 1/20 0.43

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
SCHEMBL13750509 0.81 PTGS2 (0.47) TRPV3CYP2A6PTGS2TGFBR1
SCHEMBL17609694 0.81 TRPV3 (0.51) TRPV3KCNH2SCN9A
SCHEMBL15935412 0.80 CCR1 (0.50) TRPV3CYP2A6PTGS2CCR1CCR8
SCHEMBL3421947 0.79 CYP2A6 (0.65) CYP2A6CCR1CCR8TGFBR1
SCHEMBL30146674 0.79 CYP2A6 (0.65) CYP2A6CCR1CCR8TGFBR1
SCHEMBL12538766 0.78 KCNH2 (0.43) TRPV3PTGS2KCNH2
SCHEMBL12538603 0.78 TRPV3 (0.46) TRPV3KCNH2SCN9A
SCHEMBL13680479 0.78 CYP2A6 (0.54) CYP2A6CCR1CCR8TGFBR1
SCHEMBL28864065 0.77 KDM4E (0.46) TRPV3KCNH2
SCHEMBL12538145 0.77 TRPV3 (0.54) TRPV3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106715430-B inhibition of transient receptor potential A1 ion channels 伊莱利利公司 2019-09-17 CN disclosed
CN-106715430-A Inhibition of transient receptor potential A1 ion channels 海德拉生物科学公司 2017-05-24 CN disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed