SCHEMBL22626626

SCHEMBL22626626

COc1cc2c(cc1-c1ccn(C)n1)-c1c(c(C(=O)N(C3CCOC3)C(O)(O)O)nn1-c1ccsc1)CO2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 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
SCHEMBL24519296 0.94 CACNA2D1 (0.31) CACNA2D1
SCHEMBL22626681 0.92 — —
SCHEMBL22626630 0.91 CACNA2D1 (0.31) CACNA2D1
SCHEMBL17789683 0.89 CACNA2D1 (0.32) CACNA2D1
SCHEMBL22626392 0.87 — —
SCHEMBL16377995 0.87 CACNA2D1 (0.30) CACNA2D1
SCHEMBL24519335 0.86 NR1H4 (0.31) CACNA2D1
SCHEMBL22626501 0.85 CACNA2D1 (0.30) CACNA2D1
SCHEMBL17789664 0.84 NR1H4 (0.32) —
SCHEMBL22626612 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
Send feedback