SCHEMBL24821802

SCHEMBL24821802

Cn1cnnc1-c1ccccc1-c1cccc(-c2nc3ccc(OCCN4CCCC4)c(C(F)(F)F)c3[nH]2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.39
▸ ADORA1 P30542 3/20 0.39
▸ ACHE P22303 6/20 0.39
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HRH4 Q9H3N8 2/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ RUNX1 Q01196 1/20 0.34
▸ MCHR1 Q99705 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ IL17A Q16552 1/20 0.33

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
SCHEMBL30153349 1.00 ADORA2A (0.39) ADORA2AADORA1ACHEKDM4ESMN1; SMN2
SCHEMBL24819891 0.85 SCN9A (0.35) KDM4ESMN1; SMN2BACE1
SCHEMBL30152925 0.85 SCN9A (0.35) KDM4ESMN1; SMN2BACE1
SCHEMBL24820524 0.82 CBLB (0.40) ADORA2AADORA1
SCHEMBL24818783 0.82 CHEK2 (0.35) HRH4
SCHEMBL30152796 0.82 CHEK2 (0.35) HRH4
SCHEMBL24818853 0.81 SCD (0.35) BACE1
SCHEMBL30152813 0.81 SCD (0.35) BACE1
SCHEMBL29189995 0.81 MCHR1 (0.41) MCHR1
SCHEMBL24819889 0.80 CBLB (0.35) KDM4ESMN1; SMN2

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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