SCHEMBL29190139

SCHEMBL29190139

C[C@@H]1CN(Cc2cc(C(F)(F)F)c3[nH]c(-c4c(F)ccc(-c5ccccc5)c4-c4nncn4C)nc3c2)CCO1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.40
▸ CBLB Q13191 8/20 0.39
▸ DRD4 P21917 2/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ GRM2 Q14416 5/20 0.36
▸ KCNH2 Q12809 1/20 0.36

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
SCHEMBL29190140 1.00 CNR2 (0.40) CNR2CBLBDRD4CNR1GRM2
SCHEMBL30152828 0.85 CNR2 (0.42) CNR2CBLBCNR1GRM2KCNH2
SCHEMBL24818656 0.85 CNR2 (0.42) CNR2CBLBCNR1GRM2KCNH2
SCHEMBL29190136 0.80 CBLB (0.41) CNR2CBLBGRM2KCNH2
SCHEMBL29190130 0.79 VSIR (0.33) CBLB
SCHEMBL29190048 0.77 IDH1 (0.34) CBLB
SCHEMBL29190042 0.77 IDH1 (0.34) CBLB
SCHEMBL29190141 0.76 CBLB (0.34) CBLB
SCHEMBL24818540 0.75 CBLB (0.44) CNR2CBLB
SCHEMBL24818544 0.75 CBLB (0.44) CNR2CBLB

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
CN-117858865-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 — — CN disclosed
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