SCHEMBL19670299

SCHEMBL19670299

O=C(Nc1cccc(-c2ccc(C(F)(F)F)cn2)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCC21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.43
▸ TRPV1 Q8NER1 2/20 0.42
▸ MAPT P10636 3/20 0.40
▸ KDM1A O60341 4/20 0.39
▸ MAOB P27338 4/20 0.39
▸ MAOA P21397 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ HTT P42858 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ CA2 P00918 1/20 0.39

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
SCHEMBL19670497 0.93 MAPT (0.45) FYNTRPV1MAPTMEN1KMT2A
SCHEMBL19670552 0.86 FYN (0.38) FYNTRPV1MAPTKDM1AMAOB
SCHEMBL17618786 0.85 FYN (0.42) FYNTRPV1MAPTKDM1AMAOB
SCHEMBL19365574 0.84 CA2 (0.41) TRPV1MAPTMEN1KMT2AALDH1A1
SCHEMBL19670466 0.84 CA2 (0.41) TRPV1MAPTMEN1KMT2AALDH1A1
SCHEMBL19365834 0.83 CNR2 (0.51) LMNA
SCHEMBL19670537 0.83 CNR2 (0.51) LMNA
SCHEMBL19670476 0.83 TRPV1 (0.46) TRPV1MAPTMAPK1
SCHEMBL19365389 0.81 FYN (0.44) FYNTRPV1MAPTKDM1AMAOB
SCHEMBL17624594 0.81 TRPV1 (0.39) FYNTRPV1MAPTKDM1AMAOB

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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