SCHEMBL31694103

SCHEMBL31694103

CC(C)(C)OC(=O)N1C[C@@H]2CC(F)(F)CN2c2cc(N3CCC4(CC3)CC(NC(=O)OCc3ccccc3)c3ccc(F)cc34)ccc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MCHR2 Q969V1 1/20 0.34
▸ RORC P51449 3/20 0.34
▸ CASP1 P29466 1/20 0.33
▸ SIGMAR1 Q99720 6/20 0.32
▸ TMEM97 Q5BJF2 3/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 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
SCHEMBL31693869 0.83 HSD11B1 (0.34) RORC
SCHEMBL31693987 0.83 MCHR2 (0.35) MCHR2RORCCASP1SIGMAR1TMEM97
SCHEMBL31694051 0.83 KDM1A (0.35) RORC
SCHEMBL31694021 0.81 HRH3 (0.31) —
SCHEMBL31693878 0.80 P2RX7 (0.44) MCHR2RORC
SCHEMBL31694185 0.79 MCHR2 (0.30) MCHR2
SCHEMBL31693927 0.75 HTR7 (0.36) —
SCHEMBL31694054 0.73 HSD11B1 (0.35) RORCSIGMAR1TMEM97DRD2
SCHEMBL7623319 0.72 KDM1A (0.44) MCHR2
SCHEMBL8314335 0.72 KDM1A (0.44) MCHR2

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-2025201477-A1 SPIROCYCLIC GSDME INHIBITORS PYROTECH (BEIJING) BIOTECHNOLOGY CO.,LTD. (CN) 2025-10-02 — — WO disclosed
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