SCHEMBL31424448

SCHEMBL31424448

Cc1cc(Oc2nn3c(c2Br)C(C)N(C(=O)OC(C)(C)C)CC3)cc(C)c1F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ CHRNA3 P32297 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ GPR119 Q8TDV5 2/20 0.31
▸ USP30 Q70CQ3 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
SCHEMBL24276775 0.85 USP30 (0.33) NR1H2NR1H3ACACBLMNANPSR1
SCHEMBL31692233 0.81 NPSR1 (0.35) NR1H2NR1H3ACACBLMNANPSR1
SCHEMBL24276764 0.77 MAP4K4 (0.33) NR1H2NR1H3ACACBLMNANPSR1
SCHEMBL35212552 0.75 TLR9 (0.34) NR1H2NR1H3LMNA
SCHEMBL24276770 0.73 GRM5 (0.36) NR1H2NR1H3ACACBLMNANPSR1
SCHEMBL34466888 0.73 UCHL1 (0.33) NR1H2NR1H3LMNANPSR1USP30
SCHEMBL34465741 0.73 UCHL1 (0.33) NR1H2NR1H3LMNANPSR1USP30
SCHEMBL31692539 0.72 KAT7 (0.35) NR1H2NR1H3LMNANPSR1GPR119
SCHEMBL24276763 0.70 LMNA (0.30) LMNANPSR1
SCHEMBL26185733 0.70 KAT7 (0.34) NR1H2NR1H3LMNANPSR1GPR119

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-119431365-A Phenyl heterocyclic derivative-containing regulator and preparation method and application thereof 江苏豪森药业集团有限公司 2025-02-14 — — CN disclosed
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