SCHEMBL31474616

SCHEMBL31474616

[O-][S@+]1CCc2nc(N3CCc4nc(-c5ccc(Cl)cc5)oc4C3)nc(NC3(CO)CCC3)c21

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.31
▸ S1PR3 Q99500 1/20 0.31
▸ S1PR5 Q9H228 1/20 0.31
▸ GPR119 Q8TDV5 4/20 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
SCHEMBL31474623 0.94 S1PR5 (0.35) S1PR1S1PR3S1PR5
SCHEMBL31474620 0.94 S1PR1 (0.32) S1PR1S1PR3S1PR5
SCHEMBL31474599 0.86 GRM5 (0.32) S1PR5
SCHEMBL31670518 0.84 GRM5 (0.37) S1PR5
SCHEMBL31670502 0.81 DPP4 (0.30) —
SCHEMBL31164783 0.81 TRPV3 (0.35) —
SCHEMBL588844 0.79 CETP (0.34) —
SCHEMBL14734249 0.78 MMP2 (0.32) —
SCHEMBL31002943 0.78 — —
SCHEMBL31084011 0.78 ROCK2 (0.31) —

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-119698422-A Aza condensed ring compound, preparation method and medical application thereof 苏州爱科百发生物医药技术有限公司 2025-03-25 — — CN disclosed
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