SCHEMBL27638993

SCHEMBL27638993

O=C(O)c1ccc(-c2ncccc2C(F)(F)F)nc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.65
P4HA1 P13674 2/20 0.53
P4HTM Q9NXG6 1/20 0.53
LDHA P00338 2/20 0.50
TRPM8 Q7Z2W7 1/20 0.47
TGFBR1 P36897 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
RORC P51449 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
SCHEMBL30165065 1.00 TRPV1 (0.65) TRPV1P4HA1P4HTMLDHATRPM8
SCHEMBL27638998 0.84 TRPV1 (0.63) TRPV1TGFBR1L3MBTL1
SCHEMBL3881337 0.81 TRPV1 (0.65) TRPV1RORC
SCHEMBL8303037 0.79 LDHA (0.57) TRPV1P4HA1P4HTMLDHAL3MBTL1
SCHEMBL4926077 0.79 TRPV1 (0.53) TRPV1
SCHEMBL6226027 0.76 KDM4E (0.50) TRPV1P4HTMRORC
SCHEMBL4808010 0.75 RORC (0.59) TRPV1RORC
Hydrochloric Acid SCHEMBL6220633 0.75 KDM4E (0.49) TRPV1P4HTMRORC
SCHEMBL14252860 0.75 TRPV1 (0.76) TRPV1
SCHEMBL14263130 0.75 TRPV1 (0.76) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1820008-A Substituted quinolin-4-ylamine analogues NEUROGEN CORP (US) 2006-08-16 CN disclosed