SCHEMBL30681679

SCHEMBL30681679

COc1cc2c(cc1-c1cn[nH]c1)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1cc(Cl)cc(Cl)c1)CO2

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 19/20 0.39
▸ ROCK1 Q13464 10/20 0.35
▸ NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL17381645 1.00 ROCK2 (0.39) ROCK2ROCK1NR1H4
SCHEMBL16340073 0.88 ROCK2 (0.37) ROCK2ROCK1
SCHEMBL20988684 0.88 NR1H4 (0.35) NR1H4
SCHEMBL17381573 0.88 NR1H4 (0.35) NR1H4
SCHEMBL30886104 0.88 NR1H4 (0.36) NR1H4
SCHEMBL17381591 0.87 NR1H4 (0.34) NR1H4
SCHEMBL20731116 0.87 CCNA2 (0.34) ROCK2ROCK1NR1H4
SCHEMBL17381580 0.86 NR1H4 (0.34) NR1H4
SCHEMBL17382049 0.86 NR1H4 (0.37) NR1H4
SCHEMBL17381593 0.86 NR1H4 (0.33) 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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