SCHEMBL22626538

SCHEMBL22626538

COc1cc2c(cc1-c1ccn(C)n1)-c1c(c(C(=O)N(C(O)(O)O)C(C)(CO)CO)nn1-c1ccsc1)CO2

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 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
SCHEMBL24519341 0.94 — —
SCHEMBL16339698 0.92 NR1H4 (0.31) NR1H4
SCHEMBL17789707 0.90 — —
SCHEMBL17789664 0.87 NR1H4 (0.32) NR1H4
SCHEMBL17382266 0.87 NR1H4 (0.31) NR1H4
SCHEMBL29539081 0.87 NR1H4 (0.31) NR1H4
SCHEMBL16377730 0.85 CCNA2 (0.31) —
SCHEMBL29670692 0.85 CCNA2 (0.31) —
SCHEMBL29670696 0.84 CCNA2 (0.36) NR1H4
SCHEMBL16377782 0.84 CCNA2 (0.33) —

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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