SCHEMBL22239978

SCHEMBL22239978

C=C(NC(CC)CCCC)c1ccc2c(n1)N(C)C1CCN2C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.33
▸ CNR1 P21554 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
SCHEMBL22240081 0.81 KDM4E (0.37) CNR2CNR1
SCHEMBL22239961 0.78 AXL (0.31) —
SCHEMBL22240251 0.77 HRH3 (0.33) —
SCHEMBL22240230 0.77 — —
SCHEMBL22240184 0.76 — —
SCHEMBL22239674 0.75 GAA (0.38) CNR2
SCHEMBL22239682 0.72 CXCR3 (0.38) CNR2
SCHEMBL22240353 0.72 KDM4E (0.31) —
SCHEMBL22240264 0.70 — —
SCHEMBL22239522 0.70 HRH3 (0.39) —

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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