SCHEMBL30681665

SCHEMBL30681665

COc1cc(Cl)cc(-n2nc(C(=O)N(C)C(C)(C)C)c3c2-c2cc(-c4cncc(C#N)c4)c(OC)cc2OC3)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 3/20 0.34
▸ ABL1 P00519 7/20 0.33
▸ GPR119 Q8TDV5 1/20 0.32
▸ SCN9A Q15858 2/20 0.31
▸ SCN5A Q14524 1/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ SSTR2 P30874 1/20 0.30
▸ GPBAR1 Q8TDU6 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
SCHEMBL17381571 1.00 NR1H4 (0.34) NR1H4ABL1GPR119SCN9ASCN5A
SCHEMBL17381580 0.96 NR1H4 (0.34) NR1H4ABL1GPR119GRM5SSTR2
SCHEMBL19321662 0.94 NR1H4 (0.33) NR1H4ABL1GPR119GRM5
SCHEMBL17382346 0.92 ABL1 (0.33) NR1H4ABL1GPR119SCN9A
SCHEMBL19326492 0.90 NR1H4 (0.33) NR1H4ABL1GPR119GRM5
SCHEMBL23072074 0.89 GPR119 (0.32) NR1H4ABL1GPR119
SCHEMBL31236967 0.89 ABL1 (0.33) ABL1GPR119GRM5SSTR2
SCHEMBL17381637 0.89 NR1H4 (0.35) NR1H4GPBAR1
SCHEMBL17381595 0.89 PTGDR2 (0.35) NR1H4GRM5
SCHEMBL17381573 0.86 NR1H4 (0.35) NR1H4

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
EP-3157929-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF ARES TRADING SA (CH) 2023-12-13 — — EP disclosed
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