SCHEMBL24201798

SCHEMBL24201798

C=C(C)[C@@H](CNc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 20/20 0.70
▸ GUCY1A2 P33402 20/20 0.70
▸ GUCY1A1 Q02108 20/20 0.70
▸ GUCY1B1 Q02153 20/20 0.70
▸ CYP2C9 P11712 1/20 0.57
▸ OPRK1 P41145 1/20 0.55

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
SCHEMBL17481637 0.89 GUCY1B2 (0.70) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16081866 0.89 GUCY1B2 (0.70) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16081874 0.89 GUCY1B2 (0.70) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL22046811 0.87 GUCY1B2 (0.76) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16082595 0.86 GUCY1B2 (0.75) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16082666 0.86 GUCY1B2 (0.70) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL18596930 0.85 GUCY1B2 (0.69) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL25966863 0.85 GUCY1B2 (0.73) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL25966834 0.85 GUCY1B2 (0.73) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL26319027 0.85 GUCY1B2 (0.71) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1

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-3660013-B1 SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2022-01-19 — — EP disclosed
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