SCHEMBL29190019

SCHEMBL29190019

Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3cc(CNCC(=O)N4CCC4)cc(C(F)(F)F)c3o2)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 4/20 0.38
▸ CBLB Q13191 1/20 0.35
▸ S1PR1 P21453 8/20 0.34
▸ S1PR3 Q99500 8/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KDM1A O60341 2/20 0.33
▸ MAOA P21397 2/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ CETP P11597 1/20 0.33
▸ PDCD1 Q15116 2/20 0.33
▸ CD274 Q9NZQ7 2/20 0.33

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
SCHEMBL30152847 1.00 VSIR (0.38) VSIRCBLBS1PR1S1PR3NPC1
SCHEMBL24820345 0.91 S1PR1 (0.41) VSIRCBLBS1PR1S1PR3CETP
SCHEMBL24820048 0.89 VSIR (0.39) VSIRCBLBS1PR1S1PR3CETP
SCHEMBL24820046 0.89 VSIR (0.39) VSIRCBLBS1PR1S1PR3GRIN2B
SCHEMBL24820483 0.88 VSIR (0.39) VSIRCBLBS1PR1S1PR3CETP
SCHEMBL30153143 0.87 VSIR (0.40) VSIRCBLBS1PR1S1PR3CETP
SCHEMBL30152788 0.87 VSIR (0.40) VSIRCBLBS1PR1S1PR3CETP
SCHEMBL24819867 0.87 VSIR (0.40) VSIRCBLBS1PR1S1PR3CETP
SCHEMBL24818925 0.87 VSIR (0.40) VSIRCBLBS1PR1S1PR3CETP
SCHEMBL24820056 0.87 VSIR (0.41) VSIRCBLBS1PR1S1PR3CETP

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
CN-117858865-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 — — CN disclosed
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