SCHEMBL30123027

SCHEMBL30123027

O=C(O)[C@H]1C[C@@H]1c1cnc(Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.42
SIRT6 Q8N6T7 1/20 0.39
CYP2C8 P10632 2/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL22503549 1.00 FFAR1 (0.42) FFAR1SIRT6CYP2C8CYP2C9
SCHEMBL20444247 1.00 FFAR1 (0.42) FFAR1SIRT6CYP2C8CYP2C9
SCHEMBL20398724 1.00 FFAR1 (0.42) FFAR1SIRT6CYP2C8CYP2C9
SCHEMBL28998297 1.00 FFAR1 (0.42) FFAR1SIRT6CYP2C8CYP2C9
SCHEMBL28904056 1.00 FFAR1 (0.42) FFAR1SIRT6CYP2C8CYP2C9
SCHEMBL30239716 0.83 FFAR1 (0.40) FFAR1CYP2C8CYP2C9
SCHEMBL23543046 0.82 FFAR1 (0.42) FFAR1CYP2C8CYP2C9
SCHEMBL28960305 0.82 FFAR1 (0.39) FFAR1CYP2C8
SCHEMBL20398738 0.81 FFAR1 (0.38) FFAR1CYP2C8
SCHEMBL20398739 0.81 FFAR1 (0.38) FFAR1CYP2C8

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-110248929-B Benzyl amino pyrazinyl cyclopropanecarboxylic acid, pharmaceutical composition and use thereof 勃林格殷格翰国际有限公司 2023-05-12 CN disclosed
CN-110214135-B Indanyl amino pyrazinyl cyclopropane carboxylic acid, pharmaceutical composition and application thereof 勃林格殷格翰国际有限公司 2023-02-21 CN disclosed