SCHEMBL24201250

SCHEMBL24201250

CC(C)(C(=O)ON1C(=O)CCC1O)C(=O)ON1C(=O)CCC1O

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL20404493 0.92
SCHEMBL18610399 0.90 CHRM2 (0.30) CHRM2CHRM1CHRM3
SCHEMBL27373440 0.84
SCHEMBL19557854 0.83
SCHEMBL19017571 0.83
SCHEMBL17896486 0.80 GLA (0.32) CHRM2CHRM1CHRM3
SCHEMBL18812363 0.79 SMN1; SMN2 (0.33)
SCHEMBL22891808 0.78 CCR2 (0.36)
SCHEMBL24335699 0.78
SCHEMBL21441583 0.77

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-3939964-A1 COMBINATIONS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS Ardelyx, Inc. (US) 2022-01-19 EP disclosed