SCHEMBL24818947

SCHEMBL24818947

Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3cc(CNCC4CCC4)cc(C4CC4)c3o2)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 16/20 0.40
▸ CBLB Q13191 2/20 0.35
▸ PDCD1 Q15116 9/20 0.35
▸ CD274 Q9NZQ7 9/20 0.35
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ HTR3A P46098 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
SCHEMBL30152612 1.00 VSIR (0.40) VSIRCBLBPDCD1CD274ESR1
SCHEMBL24818737 0.92 VSIR (0.42) VSIRCBLBPDCD1CD274HTR3A
SCHEMBL30153049 0.92 VSIR (0.42) VSIRCBLBPDCD1CD274HTR3A
SCHEMBL30153084 0.91 VSIR (0.40) VSIRPDCD1CD274
SCHEMBL24820155 0.91 VSIR (0.40) VSIRPDCD1CD274
SCHEMBL24820576 0.90 CBLB (0.39) VSIRCBLBPDCD1CD274ESR1
SCHEMBL30153210 0.90 CBLB (0.39) VSIRCBLBPDCD1CD274ESR1
SCHEMBL24818925 0.89 VSIR (0.40) VSIRCBLBPDCD1CD274HTR3A
SCHEMBL24820273 0.89 VSIR (0.40) VSIRPDCD1CD274
SCHEMBL30152568 0.89 VSIR (0.40) VSIRPDCD1CD274

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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