SCHEMBL24819871

SCHEMBL24819871

C[C@@H]1CN(Cc2cc(C(F)(F)F)c3oc(-c4cccc(-c5ccccc5-c5nncn5C)c4)nc3c2)CCO1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 6/20 0.42
▸ CNR2 P34972 4/20 0.39
▸ GRM2 Q14416 5/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ S1PR1 P21453 4/20 0.36
▸ S1PR3 Q99500 4/20 0.36
▸ PDCD1 Q15116 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL30152915 1.00 CBLB (0.42) CBLBCNR2GRM2KCNH2S1PR1
SCHEMBL29190135 1.00 CBLB (0.42) CBLBCNR2GRM2KCNH2S1PR1
SCHEMBL24819893 0.93 CBLB (0.40) CBLBCNR2GRM2KCNH2S1PR1
SCHEMBL24818677 0.93 CBLB (0.40) CBLBCNR2GRM2KCNH2S1PR1
SCHEMBL29190136 0.91 CBLB (0.41) CBLBCNR2GRM2KCNH2S1PR1
SCHEMBL24819900 0.89 CBLB (0.44) CBLBCNR2S1PR1S1PR3PDCD1
SCHEMBL30153015 0.89 CBLB (0.44) CBLBCNR2S1PR1S1PR3PDCD1
SCHEMBL24818788 0.89 CBLB (0.44) CBLBCNR2S1PR1S1PR3PDCD1
SCHEMBL29189888 0.89 CBLB (0.44) CBLBCNR2S1PR1S1PR3PDCD1
SCHEMBL30152952 0.89 CBLB (0.44) CBLBCNR2S1PR1S1PR3PDCD1

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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