SCHEMBL22240332

SCHEMBL22240332

C=C(NC(c1ccccc1)C(F)(F)F)c1ccc2c(n1)N(C(=C)Nc1cc(CC[C@H](C)CN=O)ccn1)C1CCN2C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.31
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL22239896 0.79 — —
SCHEMBL22240094 0.77 PHGDH (0.36) —
SCHEMBL22239941 0.77 — —
SCHEMBL22240292 0.77 MEN1 (0.32) CNR2
SCHEMBL22240097 0.75 ACACB (0.34) —
SCHEMBL22239724 0.74 TRPV1 (0.31) CNR2
SCHEMBL22240252 0.73 — —
SCHEMBL22240057 0.73 MEN1 (0.34) —
SCHEMBL22240059 0.73 AXL (0.31) —
SCHEMBL22239801 0.72 — —

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
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
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