SCHEMBL24819949

SCHEMBL24819949

Cn1cnnc1-c1cc(F)ccc1-c1cc(-c2nc3cc(CN[C@@H]4CCC[C@@H]4O)ccc3o2)cc(C2CC2)c1

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 2/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ PDCD1LG2 Q9BQ51 1/20 0.31
▸ CD274 Q9NZQ7 1/20 0.31
▸ S1PR1 P21453 3/20 0.30
▸ HCRTR1 O43613 1/20 0.30
▸ S1PR3 Q99500 2/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL24818855 0.91 VSIR (0.36) PDCD1LG2CD274S1PR1HCRTR1S1PR3
SCHEMBL30152852 0.91 VSIR (0.36) PDCD1LG2CD274S1PR1HCRTR1S1PR3
SCHEMBL30153243 0.90 CBLB (0.34) PDCD1LG2CD274HCRTR1
SCHEMBL30152872 0.90 OPRK1 (0.31) OPRK1
SCHEMBL24821969 0.90 OPRK1 (0.31) OPRK1
SCHEMBL24820492 0.88 CBLB (0.36) —
SCHEMBL30153283 0.88 CBLB (0.36) —
SCHEMBL24819948 0.86 S1PR1 (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL30152971 0.86 S1PR1 (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL24818800 0.85 VSIR (0.38) PDCD1LG2CD274

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 4 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
CN-117858865-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 — — CN disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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