SCHEMBL29189975

SCHEMBL29189975

CC[C@H](O)CNCc1cc(C(F)(F)F)c2oc(-c3c(F)ccc(-c4ccccc4)c3-c3nncn3C)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 6/20 0.36
▸ S1PR1 P21453 10/20 0.34
▸ S1PR3 Q99500 8/20 0.34
▸ CD274 Q9NZQ7 2/20 0.31
▸ PDCD1 Q15116 1/20 0.31
▸ TACR1 P25103 1/20 0.31
▸ CETP P11597 1/20 0.31

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
SCHEMBL29189978 1.00 VSIR (0.36) VSIRS1PR1S1PR3CD274PDCD1
SCHEMBL29190120 0.94 VSIR (0.36) VSIRS1PR1S1PR3CD274PDCD1
SCHEMBL29190087 0.94 VSIR (0.36) VSIRS1PR1S1PR3CD274PDCD1
SCHEMBL29190088 0.94 VSIR (0.36) VSIRS1PR1S1PR3CD274PDCD1
SCHEMBL29190128 0.93 VSIR (0.35) VSIRS1PR1S1PR3TACR1CETP
SCHEMBL29190154 0.91 S1PR1 (0.34) VSIRS1PR1S1PR3CD274PDCD1
SCHEMBL29189998 0.91 S1PR1 (0.34) VSIRS1PR1S1PR3CD274PDCD1
SCHEMBL29190000 0.91 S1PR1 (0.34) VSIRS1PR1S1PR3CD274PDCD1
SCHEMBL29189945 0.90 VSIR (0.38) VSIRS1PR1S1PR3CD274PDCD1
SCHEMBL29190063 0.89 VSIR (0.38) VSIRS1PR1S1PR3CD274PDCD1

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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