SCHEMBL19670374

SCHEMBL19670374

C[C@@H]1CCN(C)c2ccc(-c3ccccc3C(F)(F)F)nc2N1C(=O)Nc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 9/20 0.48
▸ AR P10275 1/20 0.41
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ KMO O15229 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37
▸ SCN9A Q15858 2/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ PIK3C3 Q8NEB9 1/20 0.36
▸ SYK P43405 1/20 0.36

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
SCHEMBL19365445 0.86 TRPM8 (0.43) TRPV1ARPTGS1PTGS2TRPM8
SCHEMBL19670368 0.85 FGFR4 (0.39) TRPV1PIK3C3
SCHEMBL19365613 0.85 FAAH (0.40) TRPV1PTGS1PTGS2
SCHEMBL19670375 0.84 TRPV1 (0.41) TRPV1ARPTGS1PTGS2SCN9A
SCHEMBL19670232 0.84 PIM2 (0.43) TRPV1PIM1PIM3PIM2
SCHEMBL17618443 0.82 TRPV1 (0.49) TRPV1ARPTGS1PTGS2KMO
SCHEMBL19365426 0.81 GSK3B (0.41) TRPV1PTGS1PTGS2
SCHEMBL19365370 0.81 PTGS1 (0.41) TRPV1PTGS1PTGS2
SCHEMBL19670150 0.81 IRAK4 (0.40) TRPV1PIM1PIM3PIM2SCN9A
SCHEMBL19365317 0.80 GSK3B (0.39) TRPV1PTGS1PTGS2PIM2SYK

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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