SCHEMBL29831480

SCHEMBL29831480

COC(=O)C[C@H](C(C)C)N(C)c1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 20/20 0.62
▸ GUCY1A2 P33402 20/20 0.62
▸ GUCY1A1 Q02108 20/20 0.62
▸ GUCY1B1 Q02153 20/20 0.62
▸ CYP2C9 P11712 1/20 0.54
▸ OPRK1 P41145 1/20 0.53

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
SCHEMBL16057981 1.00 GUCY1B2 (0.62) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16057980 1.00 GUCY1B2 (0.62) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16082608 0.92 GUCY1B2 (0.60) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL18596958 0.92 GUCY1B2 (0.60) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16082404 0.92 GUCY1B2 (0.60) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16081887 0.92 GUCY1B2 (0.60) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL18869079 0.88 GUCY1B2 (0.62) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16081842 0.86 GUCY1B2 (0.62) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL18596910 0.86 GUCY1B2 (0.62) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16082252 0.86 GUCY1B2 (0.62) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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