SCHEMBL22239707

SCHEMBL22239707

CC(C)NC(=O)c1ccc2c(n1)N(C(=O)Nc1cc(Br)ccn1)[C@H]1CCN2C1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.35
▸ OPRK1 P41145 1/20 0.34
▸ ACACB O00763 10/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ MAP4K1 Q92918 1/20 0.34
▸ GSK3B P49841 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ RPS6KA3 P51812 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MYLK4 Q86YV6 1/20 0.32
▸ STK17A Q9UEE5 1/20 0.32
▸ CHEK1 O14757 1/20 0.32

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
SCHEMBL17770122 0.91 AXL (0.33) CNR2ACACBNTRK1MAP4K1
SCHEMBL17777016 0.91 AXL (0.33) CNR2ACACBNTRK1MAP4K1
SCHEMBL17770116 0.91 AXL (0.33) CNR2ACACBNTRK1MAP4K1
SCHEMBL17770184 0.91 AXL (0.33) CNR2ACACBNTRK1MAP4K1
SCHEMBL19736506 0.91 FDPS (0.40) CNR2ACACBNTRK1MAP4K1GSK3B
SCHEMBL19736307 0.91 RPS6KA3 (0.42) CNR2ACACBRPS6KA3NPC1ALDH1A1
SCHEMBL19736162 0.90 CNR2 (0.35) CNR2ACACBNTRK1MAP4K1FGFR1
SCHEMBL19736429 0.89 FGFR1 (0.39) ACACBNTRK1MAP4K1FGFR1
SCHEMBL17770220 0.89 OPRK1 (0.39) OPRK1GSK3BCDK5DYRK1ACDK5R1
SCHEMBL17776945 0.89 OPRK1 (0.39) OPRK1GSK3BCDK5DYRK1ACDK5R1

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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