SCHEMBL29831591

SCHEMBL29831591

O=[N+]([O-])c1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)nc1O

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
▸ OPRK1 P41145 1/20 0.62

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
SCHEMBL3436923 1.00 GUCY1B2 (0.66) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16057733 0.90 GUCY1B2 (0.66) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3436758 0.88 GUCY1B2 (0.61) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL250991 0.87 GUCY1B2 (0.79) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL29831577 0.87 GUCY1B2 (0.79) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16907026 0.86 GUCY1B2 (0.64) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL16082423 0.85 GUCY1B2 (0.64) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3439276 0.85 GUCY1B2 (0.72) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL18405244 0.85 GUCY1B2 (0.72) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437255 0.85 GUCY1B2 (0.72) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109369635-B Compound or pharmaceutically acceptable salt thereof, application thereof and pharmaceutical composition 赛克里翁治疗有限公司 2023-06-30 — — CN disclosed
CN-109384778-B Use of a compound or a pharmaceutically acceptable salt thereof for the manufacture of a medicament for the treatment of a disease, health condition or disorder 赛克里翁治疗有限公司 2022-12-13 — — CN disclosed
CN-110016020-B Compound or pharmaceutically acceptable salt thereof, application and pharmaceutical composition thereof 赛克里翁治疗有限公司 2022-07-26 — — CN disclosed
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