SCHEMBL19670476

SCHEMBL19670476

O=C(Nc1ncc(-c2ccccc2)s1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCC21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.46
▸ MKNK1 Q9BUB5 1/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ WNT3A P56704 2/20 0.41
▸ UCHL1 P09936 1/20 0.40
▸ USP30 Q70CQ3 6/20 0.40
▸ KDR P35968 1/20 0.38
▸ KMO O15229 1/20 0.38
▸ NPY5R Q15761 2/20 0.37
▸ OTUD7B Q6GQQ9 2/20 0.37
▸ GSTO1 P78417 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 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
SCHEMBL17618861 0.86 TRPV1 (0.45) TRPV1MKNK1CNR2WNT3AUCHL1
SCHEMBL19670497 0.84 MAPT (0.45) TRPV1KDRMAPT
SCHEMBL19670299 0.83 FYN (0.43) TRPV1MAPTMAPK1
SCHEMBL19670573 0.83 MAPK10 (0.39) WNT3AMAPK1
SCHEMBL19365413 0.81 ADCY1 (0.50) MAPK1
SCHEMBL19670440 0.80 CA12 (0.42) CNR2KMO
SCHEMBL19670556 0.79 ADCY1 (0.43) MAPTMAPK1
SCHEMBL17624593 0.79 TRPV1 (0.40) TRPV1CNR2KMO
SCHEMBL19670466 0.78 CA2 (0.41) TRPV1MAPT
SCHEMBL19365574 0.78 CA2 (0.41) TRPV1MAPT

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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