SCHEMBL24818732

SCHEMBL24818732

CN(C)CC(=O)NCc1cc(C(F)(F)F)c2oc(-c3cccc(-c4ccc(F)cc4-c4nncn4C)c3)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 4/20 0.37
▸ S1PR1 P21453 7/20 0.36
▸ S1PR3 Q99500 5/20 0.36
▸ CETP P11597 2/20 0.35
▸ KISS1R Q969F8 1/20 0.35
▸ CHUK O15111 1/20 0.33
▸ CBLB Q13191 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ WNT3A P56704 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
SCHEMBL30152807 1.00 VSIR (0.37) VSIRS1PR1S1PR3CETPKISS1R
SCHEMBL24819018 0.91 VSIR (0.40) VSIRS1PR1S1PR3CETPCBLB
SCHEMBL24820046 0.88 VSIR (0.39) VSIRS1PR1S1PR3CETPCBLB
SCHEMBL24820345 0.87 S1PR1 (0.41) VSIRS1PR1S1PR3CETPCBLB
SCHEMBL24820344 0.86 VSIR (0.42) VSIRS1PR1S1PR3CETPCBLB
SCHEMBL24820048 0.85 VSIR (0.39) VSIRS1PR1S1PR3CETPCBLB
SCHEMBL24818674 0.85 VSIR (0.40) VSIRS1PR1S1PR3CETPCBLB
SCHEMBL24819904 0.85 VSIR (0.52) VSIR
SCHEMBL24818905 0.85 VSIR (0.36) VSIRS1PR1S1PR3CETPCBLB
SCHEMBL24819924 0.85 VSIR (0.37) VSIRS1PR1S1PR3CETPCBLB

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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