SCHEMBL31534397

SCHEMBL31534397

Cc1cccc(C)c1CNc1cc(NC(=O)CC(=O)O)cn2c(C)c(C)nc12

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.60
CYP2C9 P11712 20/20 0.60
CYP2D6 P10635 10/20 0.60
CYP2C19 P33261 8/20 0.57
CYP1A2 P05177 7/20 0.57

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
SCHEMBL31534355 0.92 CYP3A4 (0.58) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL31534384 0.91 CYP3A4 (0.61) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL31534400 0.91 CYP3A4 (0.63) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL31534387 0.90 CYP3A4 (0.56) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL31534416 0.90 CYP3A4 (0.60) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL31534373 0.89 CYP3A4 (0.64) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL31534467 0.89 CYP3A4 (0.59) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL31534548 0.89 CYP3A4 (0.59) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL31534352 0.89 CYP3A4 (0.59) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL31534388 0.89 CYP3A4 (0.63) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2

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
WO-2025058459-A1 NOVEL IMIDAZOPYRIDINE-BASED COMPOUND AND COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING, ALLEVIATING, OR TREATING GASTROINTESTINAL INFLAMMATORY DISEASES OR GASTRIC ACID-RELATED DISEASES (주)휴온스 2025-03-20 WO claimed
WO-2025058459-A1 NOVEL IMIDAZOPYRIDINE-BASED COMPOUND AND COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING, ALLEVIATING, OR TREATING GASTROINTESTINAL INFLAMMATORY DISEASES OR GASTRIC ACID-RELATED DISEASES (주)휴온스 2025-03-20 WO disclosed