SCHEMBL24820029

SCHEMBL24820029

Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3cc(CNC4CCCCC4O)cc(C(F)(F)F)c3o2)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 4/20 0.35
▸ CBLB Q13191 2/20 0.34
▸ TRPV3 Q8NET8 7/20 0.34
▸ S1PR1 P21453 5/20 0.32
▸ S1PR3 Q99500 5/20 0.32
▸ CD274 Q9NZQ7 3/20 0.32
▸ PDCD1 Q15116 2/20 0.32
▸ KCNH2 Q12809 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
SCHEMBL24820025 1.00 VSIR (0.35) VSIRCBLBTRPV3S1PR1S1PR3
SCHEMBL24820761 0.99 VSIR (0.35) VSIRCBLBTRPV3S1PR1S1PR3
SCHEMBL24818680 0.99 VSIR (0.35) VSIRCBLBTRPV3S1PR1S1PR3
SCHEMBL24818917 0.99 VSIR (0.35) VSIRCBLBTRPV3S1PR1S1PR3
SCHEMBL24818891 0.99 VSIR (0.35) VSIRCBLBTRPV3S1PR1S1PR3
SCHEMBL24818931 0.97 VSIR (0.36) VSIRCBLBS1PR1S1PR3CD274
SCHEMBL30153112 0.97 VSIR (0.36) VSIRCBLBS1PR1S1PR3CD274
SCHEMBL30152878 0.97 VSIR (0.36) VSIRCBLBS1PR1S1PR3CD274
SCHEMBL24818668 0.97 VSIR (0.36) VSIRCBLBS1PR1S1PR3CD274
SCHEMBL24820063 0.95 VSIR (0.35) VSIRCBLBTRPV3CD274PDCD1

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
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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