SCHEMBL19670140

SCHEMBL19670140

CCN1CC[C@@H](C)N(C(=O)Nc2c(C)ccc3ncccc23)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.37
▸ BRAF P15056 6/20 0.37
▸ RAF1 P04049 5/20 0.37
▸ DGAT2 Q96PD7 2/20 0.36
▸ SYK P43405 4/20 0.36
▸ NPY5R Q15761 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ IDH1 O75874 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ CRHR1 P34998 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
SCHEMBL19670221 0.86 UBE2M (0.37) BRAFRAF1MAPTADORA2AMTOR
SCHEMBL19670214 0.85 TRPA1 (0.38) BRAFRAF1MAPTADORA2ACA2
SCHEMBL16775891 0.84 BRAF (0.36) TRPV1BRAFRAF1DGAT2SYK
SCHEMBL17618411 0.84 KIT (0.37) TRPV1BRAFRAF1DGAT2SYK
SCHEMBL19670580 0.83 TRPV1 (0.43) TRPV1CA2CA9
SCHEMBL19670135 0.83 MEN1 (0.41) TRPV1BRAFRAF1MAPTADORA2A
SCHEMBL19670209 0.83 CNR2 (0.36) BRAFRAF1MAPTADORA2ACA2
SCHEMBL19670179 0.82 HTR2C (0.46) TRPV1BRAF
SCHEMBL19670218 0.81 MAPT (0.43) TRPV1BRAFRAF1MAPTADORA2A
SCHEMBL19670629 0.81 CA2 (0.40) TRPV1BRAFRAF1MAPTCA2

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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