SCHEMBL22046571

SCHEMBL22046571

O=C(O)[C@H]1CCCC1Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 20/20 0.66
▸ GUCY1A2 P33402 20/20 0.66
▸ GUCY1A1 Q02108 20/20 0.66
▸ GUCY1B1 Q02153 20/20 0.66
▸ CYP2C9 P11712 1/20 0.63

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
SCHEMBL16082008 1.00 GUCY1B2 (0.66) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL22046810 0.98 GUCY1B2 (0.67) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL21117995 0.98 GUCY1B2 (0.67) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16082011 0.98 GUCY1B2 (0.67) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16082594 0.98 GUCY1B2 (0.67) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16082085 0.90 GUCY1B2 (0.70) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL24427328 0.88 GUCY1B2 (0.64) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16082251 0.88 GUCY1B2 (0.71) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16082274 0.85 GUCY1B2 (0.64) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16082225 0.85 GUCY1B2 (0.75) GUCY1B2GUCY1A2GUCY1A1GUCY1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3998260-B1 SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2023-11-01 — — EP disclosed
EP-3660013-B1 SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2022-01-19 — — EP disclosed
EP-3660013-A1 SGC STIMULATORS Cyclerion Therapeutics, Inc. (US) 2020-06-03 — — EP disclosed
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