SCHEMBL31472049

SCHEMBL31472049

COC(OC)C(C)NC(=O)Nc1c2c(nn1-c1cc(C)c(F)c(C)c1)CCN(C(=O)OC(C)(C)C)[C@H]2C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 5/20 0.33
▸ NTRK1 P04629 5/20 0.33
▸ THRB P10828 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ GLP1R P43220 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL31011044 0.87 THRB (0.34) C5AR1NTRK1THRBLMNANPSR1
SCHEMBL31011031 0.87 THRB (0.34) C5AR1NTRK1THRBLMNANPSR1
SCHEMBL28952289 0.87 NTRK1 (0.34) C5AR1NTRK1THRBGLP1R
SCHEMBL20014817 0.87 NTRK1 (0.34) C5AR1NTRK1THRBGLP1R
SCHEMBL31424283 0.83 THRB (0.32) C5AR1THRBLMNANPSR1
SCHEMBL31692362 0.82 NTRK1 (0.35) NTRK1THRBLMNANPSR1L3MBTL1
SCHEMBL21183622 0.82 THRB (0.31) NTRK1THRB
SCHEMBL38651834 0.82 NTRK1 (0.34) NTRK1
SCHEMBL31424290 0.81 NTRK1 (0.31) NTRK1
SCHEMBL31692219 0.80 THRB (0.34) C5AR1THRBLMNANPSR1GLP1R

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
WO-2025026270-A1 BENZO NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2025-02-06 — — WO disclosed
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