SCHEMBL29190092

SCHEMBL29190092

Cn1cnnc1-c1c(-c2ccccc2)ccc(F)c1-c1nc2cc(CNC3CCCC[C@H]3O)cc(C(F)(F)F)c2o1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 5/20 0.35
▸ TRPV3 Q8NET8 7/20 0.34
▸ S1PR1 P21453 7/20 0.34
▸ S1PR3 Q99500 7/20 0.34
▸ PDCD1 Q15116 1/20 0.32
▸ CHRM1 P11229 1/20 0.32

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
SCHEMBL29190090 1.00 CD274 (0.35) CD274TRPV3S1PR1S1PR3PDCD1
SCHEMBL29190124 0.94 CD274 (0.33) CD274TRPV3S1PR1S1PR3PDCD1
SCHEMBL29190125 0.94 CD274 (0.33) CD274TRPV3S1PR1S1PR3PDCD1
SCHEMBL29190065 0.93 CD274 (0.33) CD274TRPV3S1PR1S1PR3PDCD1
SCHEMBL29190064 0.93 CD274 (0.33) CD274TRPV3S1PR1S1PR3PDCD1
SCHEMBL29190053 0.91 CD274 (0.35) CD274TRPV3PDCD1CHRM1
SCHEMBL29190054 0.91 CD274 (0.35) CD274TRPV3PDCD1CHRM1
SCHEMBL29189982 0.91 S1PR1 (0.35) CD274S1PR1S1PR3PDCD1
SCHEMBL29189916 0.90 S1PR1 (0.35) CD274S1PR1S1PR3PDCD1
SCHEMBL29190040 0.89 CD274 (0.34) CD274PDCD1

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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