SCHEMBL29189924

SCHEMBL29189924

Cn1cnnc1-c1c(-c2ccccc2)ccc(F)c1-c1nc2cc(NCCN3CC(F)(F)C3)cc(C(F)(F)F)c2o1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ S1PR1 P21453 3/20 0.31
▸ S1PR3 Q99500 3/20 0.31
▸ CETP P11597 1/20 0.31
▸ HSPD1 P10809 1/20 0.30
▸ PTPN2 P17706 1/20 0.30
▸ PTPN1 P18031 1/20 0.30
▸ PTPN5 P54829 1/20 0.30
▸ HSPE1 P61604 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
SCHEMBL29189950 0.91 CHRNA7 (0.39) CHRNA7KCNH2S1PR1S1PR3
SCHEMBL29189969 0.86 S1PR1 (0.32) CHRNA7KCNH2S1PR1S1PR3CETP
SCHEMBL29189988 0.86 S1PR1 (0.32) CHRNA7KCNH2S1PR1S1PR3CETP
SCHEMBL24818822 0.84 VSIR (0.34) CETP
SCHEMBL30152901 0.84 VSIR (0.34) CETP
SCHEMBL29190151 0.81 S1PR1 (0.34) S1PR1S1PR3CETP
SCHEMBL29190103 0.80 S1PR1 (0.33) S1PR1S1PR3CETP
SCHEMBL29190063 0.79 VSIR (0.38) S1PR1S1PR3
SCHEMBL29189945 0.79 VSIR (0.38) S1PR1S1PR3
SCHEMBL29189996 0.79 VSIR (0.37) S1PR1S1PR3

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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