SCHEMBL6205657

SCHEMBL6205657

O=C([CH]CO)Nc1ccc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)nc1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC8A1 P32418 20/20 0.53

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
SCHEMBL6204043 0.87 SLC8A1 (0.56) SLC8A1
SCHEMBL6205020 0.87 SLC8A1 (0.56) SLC8A1
SCHEMBL4954244 0.87 SLC8A1 (0.56) SLC8A1
SCHEMBL4366572 0.86 SLC8A1 (0.63) SLC8A1
SCHEMBL4361884 0.86 SLC8A1 (0.55) SLC8A1
SCHEMBL4361763 0.85 SLC8A1 (0.58) SLC8A1
Hydrochloric Acid SCHEMBL4358209 0.84 SLC8A1 (0.67) SLC8A1
Hydrochloric Acid SCHEMBL4358205 0.84 SLC8A1 (0.67) SLC8A1
Hydrochloric Acid SCHEMBL4358194 0.84 SLC8A1 (0.67) SLC8A1
SCHEMBL4366792 0.84 SLC8A1 (0.57) SLC8A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583759-A1 PYRIDINE DERIVATIVES USEFUL FOR INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM ORION CORPORATION (FI) 2005-10-12 EP disclosed
WO-2004063191-A1 PYRIDINE DERIVATIVES USEFUL FOR INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM ORION CORPORATION (FI) 2004-07-29 WO disclosed