SCHEMBL22239724

SCHEMBL22239724

C=C(N[C@H](CC)C(F)(F)F)c1ccc2c(n1)N(C(=C)Nc1ccccn1)[C@H]1CCN2C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.31
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 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
SCHEMBL22240292 0.90 MEN1 (0.32) TRPV1CNR1CNR2
SCHEMBL22240215 0.90 NOS2 (0.32) —
SCHEMBL22240057 0.87 MEN1 (0.34) —
SCHEMBL22240059 0.86 AXL (0.31) —
SCHEMBL22240073 0.84 HTT (0.34) —
SCHEMBL19714367 0.84 CNR2 (0.38) TRPV1CNR1CNR2
SCHEMBL19714486 0.84 CNR2 (0.38) TRPV1CNR1CNR2
SCHEMBL19713805 0.84 CNR2 (0.38) TRPV1CNR1CNR2
SCHEMBL19736435 0.84 CNR2 (0.38) TRPV1CNR1CNR2
SCHEMBL22239854 0.84 CHI3L1 (0.33) CNR1CNR2

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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