SCHEMBL24820153

SCHEMBL24820153

Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3cc(CN[C@@H]4CCC[C@@H]4O)cc(C(F)F)c3o2)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 6/20 0.35
▸ HTR3A P46098 1/20 0.33
▸ CD274 Q9NZQ7 6/20 0.32
▸ PDCD1 Q15116 4/20 0.32
▸ PDCD1LG2 Q9BQ51 1/20 0.31
▸ MAP3K5 Q99683 3/20 0.30
▸ OPRK1 P41145 2/20 0.30
▸ KCNH2 Q12809 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
SCHEMBL30152716 1.00 VSIR (0.35) VSIRHTR3ACD274PDCD1PDCD1LG2
SCHEMBL30152910 0.92 VSIR (0.37) VSIRHTR3ACD274PDCD1PDCD1LG2
SCHEMBL24820311 0.92 VSIR (0.37) VSIRHTR3ACD274PDCD1PDCD1LG2
SCHEMBL24820267 0.92 VSIR (0.37) VSIRHTR3ACD274PDCD1PDCD1LG2
SCHEMBL30153046 0.91 VSIR (0.37) VSIRHTR3ACD274PDCD1PDCD1LG2
SCHEMBL30152834 0.91 VSIR (0.36) VSIRCD274PDCD1PDCD1LG2MAP3K5
SCHEMBL24818723 0.91 VSIR (0.36) VSIRCD274PDCD1PDCD1LG2MAP3K5
SCHEMBL24820368 0.91 VSIR (0.37) VSIRHTR3ACD274PDCD1PDCD1LG2
SCHEMBL24820053 0.90 VSIR (0.35) VSIRHTR3ACD274PDCD1PDCD1LG2
SCHEMBL30152922 0.90 VSIR (0.35) VSIRHTR3ACD274PDCD1PDCD1LG2

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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