SCHEMBL22626410

SCHEMBL22626410

COc1cc2c(cc1CC(C)C)-c1c(c(C(=O)N(CCCN(C(C)=O)C(O)(O)O)C(O)(O)O)nn1-c1ccsc1)CO2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.31

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
SCHEMBL22626244 0.97 NR1H4 (0.31) NR1H4
SCHEMBL24519303 0.93 — —
SCHEMBL24519318 0.90 NR1H4 (0.30) NR1H4
SCHEMBL17789670 0.86 — —
SCHEMBL16377960 0.85 PDE7A (0.31) NR1H4
SCHEMBL17789668 0.85 NR1H4 (0.30) NR1H4
SCHEMBL22626394 0.85 NR1H4 (0.31) NR1H4
SCHEMBL22626559 0.84 NR1H4 (0.31) NR1H4
SCHEMBL16377975 0.84 CCNA2 (0.36) —
SCHEMBL22626265 0.84 — —

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-3013832-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2020-11-04 — — EP disclosed
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