SCHEMBL15617833

SCHEMBL15617833

CC(C)(C)c1cc(-c2nc3nc(-c4ccccc4C(F)(F)F)cc(CF)c3[nH]2)on1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 9/20 0.36
ADORA2B P29275 3/20 0.35
ADORA1 P30542 3/20 0.35
ADORA3 P0DMS8 2/20 0.35
MAOB P27338 2/20 0.34
TRPM8 Q7Z2W7 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
CTSK P43235 1/20 0.34
MAOA P21397 1/20 0.34
ACP1 P24666 1/20 0.33
ADORA2A P29274 1/20 0.33
PTPN1 P18031 1/20 0.32
CRHR1 P34998 1/20 0.32
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
F2RL3 Q96RI0 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
SCHEMBL2448358 0.90 TRPA1 (0.38) TRPA1ADORA2BADORA1ADORA3MAOB
SCHEMBL2444547 0.87 TRPA1 (0.38) TRPA1ADORA2BADORA1ADORA3MAOB
SCHEMBL2447649 0.82 TRPA1 (0.40) TRPA1MAOBTRPM8TRPV1MAOA
SCHEMBL2446463 0.81 TRPA1 (0.38) TRPA1ADORA2BADORA1ADORA3TRPM8
SCHEMBL2446470 0.81 TRPA1 (0.38) TRPA1ADORA2BADORA1ADORA3TRPM8
SCHEMBL2448248 0.80 ACP1 (0.36) TRPA1ADORA2BADORA1ADORA3MAOB
SCHEMBL2444312 0.79 TRPA1 (0.35) TRPA1ADORA2BADORA1ADORA3MAOB
Hydrochloric Acid SCHEMBL2448234 0.79 ACP1 (0.35) TRPA1ADORA2BADORA1ADORA3MAOB
SCHEMBL2442250 0.78 TRPA1 (0.35) TRPA1ADORA2BADORA1ADORA3MAOB
SCHEMBL16789219 0.78 TRPA1 (0.37) TRPA1ADORA2BADORA1ADORA3TRPM8

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
US-8680098-B2 Substituted aza-bicyclic imidazole derivatives useful as TRPM8 receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2014-03-25 US disclosed