SCHEMBL30152896

SCHEMBL30152896

Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3cc(NCCC4CCC4)cc(C(F)(F)F)c3o2)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 1/20 0.34
▸ CETP P11597 2/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ CDK9 P50750 2/20 0.32
▸ CBLB Q13191 3/20 0.31
▸ ACP1 P24666 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ S1PR1 P21453 1/20 0.30
▸ S1PR3 Q99500 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
SCHEMBL24820329 1.00 VSIR (0.34) VSIRCETPHTR3ACDK9CBLB
SCHEMBL24818797 0.99 VSIR (0.34) VSIRCETPHTR3ACDK9CBLB
SCHEMBL30152636 0.99 VSIR (0.34) VSIRCETPHTR3ACDK9CBLB
SCHEMBL30152666 0.89 VSIR (0.34) VSIRCETPCBLBHPGDS1PR1
SCHEMBL24820425 0.89 VSIR (0.34) VSIRCETPCBLBHPGDS1PR1
SCHEMBL24818772 0.88 VSIR (0.40) VSIRCBLBS1PR1S1PR3
SCHEMBL30152788 0.86 VSIR (0.40) VSIRCETPHTR3ACBLBS1PR1
SCHEMBL24818925 0.86 VSIR (0.40) VSIRCETPHTR3ACBLBS1PR1
SCHEMBL24818822 0.86 VSIR (0.34) VSIRCETPCBLBHPGD
SCHEMBL30152901 0.86 VSIR (0.34) VSIRCETPCBLBHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4359381-A1 CBL-B MODULATORS AND USES THEREOF Nimbus Clio, Inc. (US) 2024-05-01 — — EP disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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