SCHEMBL8124402

SCHEMBL8124402

Cc1ccccc1-c1[c]cccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.41
AR P10275 2/20 0.41
TRPA1 O75762 3/20 0.38
TRPM8 Q7Z2W7 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
HTT P42858 1/20 0.34
NOTUM Q6P988 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.33

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
SCHEMBL3636361 0.85 HSD11B1 (0.42) HSD11B1ARTRPA1NOTUM
SCHEMBL2437985 0.81 HSD11B1 (0.38) HSD11B1ARTRPA1NOTUM
SCHEMBL1370373 0.79 TSHR (0.39) HTTNOTUM
SCHEMBL9004918 0.79 PGR (0.45) HSD11B1ARTRPA1TRPM8HTT
SCHEMBL7532639 0.77 NPC1 (0.38) HTTNOTUM
SCHEMBL12817256 0.77 HSD11B1 (0.41) HSD11B1ARTRPA1TRPM8TRPV1
SCHEMBL8129046 0.77 ACHE (0.46) NOTUM
SCHEMBL5541462 0.75 HSD11B1 (0.55) HSD11B1ARTRPA1TRPM8TRPV1
SCHEMBL6334156 0.75 AR (0.36) HSD11B1ARHTTGPBAR1
SCHEMBL2049471 0.75 HSD11B1 (0.46) HSD11B1TRPA1NOTUM

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-1028945-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS Amgen Inc. (US) 2000-08-23 EP disclosed
WO-1999024404-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 1999-05-20 WO disclosed