SCHEMBL29189988

SCHEMBL29189988

Cn1cnnc1-c1c(-c2ccccc2)ccc(F)c1-c1nc2cc(NCCC3CCCC3)cc(C(F)(F)F)c2o1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 9/20 0.32
▸ S1PR3 Q99500 8/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ ACP1 P24666 4/20 0.32
▸ CETP P11597 1/20 0.31
▸ HSPD1 P10809 1/20 0.31
▸ PTPN2 P17706 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ PTPN5 P54829 1/20 0.31
▸ HSPE1 P61604 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
SCHEMBL29189969 0.99 S1PR1 (0.32) S1PR1S1PR3CHRNA7KCNH2ACP1
SCHEMBL29189931 0.89 VSIR (0.36) S1PR1S1PR3
SCHEMBL29189950 0.89 CHRNA7 (0.39) S1PR1S1PR3CHRNA7KCNH2ACP1
SCHEMBL29189924 0.86 CHRNA7 (0.31) S1PR1S1PR3CHRNA7KCNH2CETP
SCHEMBL29189986 0.86 S1PR1 (0.36) S1PR1S1PR3
SCHEMBL29189949 0.85 S1PR1 (0.36) S1PR1S1PR3
SCHEMBL29189982 0.84 S1PR1 (0.35) S1PR1S1PR3KCNH2
SCHEMBL24818797 0.83 VSIR (0.34) S1PR1S1PR3ACP1CETP
SCHEMBL30152636 0.83 VSIR (0.34) S1PR1S1PR3ACP1CETP
SCHEMBL29190104 0.83 S1PR1 (0.36) 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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