SCHEMBL18044331

SCHEMBL18044331

CCOC(=O)c1cnn(-c2cccc(-c3ccccc3OCc3ccc(C4CCNCC4)cc3)n2)c1C(F)(F)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 20/20 0.52
GUCY1B1 Q02153 20/20 0.52

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
SCHEMBL3039823 0.90 GUCY1A1 (0.57) GUCY1A1GUCY1B1
SCHEMBL18044284 0.88 GUCY1A1 (0.54) GUCY1A1GUCY1B1
SCHEMBL1782759 0.87 GUCY1A1 (0.58) GUCY1A1GUCY1B1
SCHEMBL3041587 0.86 GUCY1A1 (0.54) GUCY1A1GUCY1B1
SCHEMBL1781270 0.86 GUCY1A1 (0.56) GUCY1A1GUCY1B1
SCHEMBL3031789 0.85 GUCY1A1 (0.57) GUCY1A1GUCY1B1
SCHEMBL16835708 0.85 GUCY1A1 (0.57) GUCY1A1GUCY1B1
SCHEMBL3040871 0.85 GUCY1A1 (0.62) GUCY1A1GUCY1B1
SCHEMBL3030596 0.85 GUCY1A1 (0.58) GUCY1A1GUCY1B1
SCHEMBL18044287 0.84 GUCY1A1 (0.55) GUCY1A1GUCY1B1

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-2401265-B1 DERIVATIVES OF 1-PYRI(MID)IN-2-YL-PYRAZOLE-4-CARBOXYLIC ACID WHICH ARE USEFUL FOR THERAPY OR PROPHYLAXIS OF CARDIOVASCULAR DISEASES MERCK SHARP & DOHME (US) 2016-09-14 EP disclosed