SCHEMBL29190103

SCHEMBL29190103

CC(C)NCc1cc(C(F)(F)F)c2oc(-c3c(F)ccc(-c4ccccc4)c3-c3nncn3C)nc2c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 10/20 0.33
▸ S1PR3 Q99500 8/20 0.33
▸ VSIR Q9H7M9 4/20 0.33
▸ TACR1 P25103 1/20 0.31
▸ CETP P11597 1/20 0.31
▸ CBLB Q13191 2/20 0.31
▸ PDCD1 Q15116 1/20 0.30
▸ CD274 Q9NZQ7 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
SCHEMBL29190106 0.92 MDM2 (0.34) S1PR1S1PR3CBLB
SCHEMBL29190109 0.92 MDM2 (0.34) S1PR1S1PR3CBLB
SCHEMBL29190128 0.91 VSIR (0.35) S1PR1S1PR3VSIRTACR1CETP
SCHEMBL29190120 0.90 VSIR (0.36) S1PR1S1PR3VSIRTACR1CBLB
SCHEMBL29190088 0.90 VSIR (0.36) S1PR1S1PR3VSIRTACR1CBLB
SCHEMBL29189996 0.90 VSIR (0.37) S1PR1S1PR3VSIRPDCD1CD274
SCHEMBL29190087 0.90 VSIR (0.36) S1PR1S1PR3VSIRTACR1CBLB
SCHEMBL29189945 0.89 VSIR (0.38) S1PR1S1PR3VSIRTACR1PDCD1
SCHEMBL29189887 0.89 VSIR (0.37) S1PR1S1PR3VSIRTACR1CETP
SCHEMBL29190063 0.89 VSIR (0.38) S1PR1S1PR3VSIRTACR1PDCD1

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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