SCHEMBL22239553

SCHEMBL22239553

NC(CNC(=O)c1ccc2c(n1)N(C(O)Nc1ccccn1)[C@H]1CCN2C1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.35
▸ CNR1 P21554 2/20 0.35
▸ SCD O00767 5/20 0.34
▸ DPP4 P27487 1/20 0.32
▸ BTK Q06187 1/20 0.31
▸ PRMT5 O14744 2/20 0.31
▸ WDR77 Q9BQA1 1/20 0.31
▸ LPL P06858 1/20 0.31
▸ LIPC P11150 1/20 0.31
▸ LIPG Q9Y5X9 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL17775080 0.86 TRPV1 (0.38) CNR2CNR1SCDDPP4LPL
SCHEMBL19714207 0.86 TRPV1 (0.38) CNR2CNR1SCDDPP4LPL
SCHEMBL22240211 0.85 ADORA2B (0.34) CNR2SCDPRMT5WDR77
SCHEMBL22239940 0.83 GPR6 (0.35) MEN1KMT2A
SCHEMBL22240203 0.80 SCN9A (0.35) CNR2SCDLPLLIPCLIPG
SCHEMBL19714097 0.80 CNR2 (0.33) CNR2CNR1SCDLPLLIPC
SCHEMBL19714287 0.80 CNR2 (0.33) CNR2CNR1SCDLPLLIPC
SCHEMBL19736388 0.79 TRPV1 (0.38) CNR2CNR1SCDLPLLIPC
SCHEMBL19714057 0.79 TRPV1 (0.38) CNR2CNR1SCDLPLLIPC
SCHEMBL22240125 0.79 BTK (0.33) CNR2CNR1BTK

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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