SCHEMBL23788030

SCHEMBL23788030

NC(=O)C(CNc1nc(-c2cc(-c3ccon3)n(Cc3ccc(O)cc3F)n2)ncc1F)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 20/20 0.55
▸ GUCY1A2 P33402 20/20 0.55
▸ GUCY1A1 Q02108 20/20 0.55
▸ GUCY1B1 Q02153 20/20 0.55
▸ OPRK1 P41145 1/20 0.46

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
SCHEMBL22046581 0.91 GUCY1B2 (0.68) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL19456679 0.86 GUCY1B2 (0.56) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17620489 0.86 GUCY1B2 (0.56) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL19450445 0.86 GUCY1B2 (0.56) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL17620415 0.83 GUCY1B2 (0.60) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16082666 0.82 GUCY1B2 (0.70) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL26319901 0.81 GUCY1B2 (0.68) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL19456666 0.79 GUCY1B2 (0.73) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16082070 0.79 GUCY1B2 (0.73) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16082216 0.79 GUCY1B2 (0.73) 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-3194382-B1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2021-09-08 — — EP disclosed
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