SCHEMBL25912430

SCHEMBL25912430

C#CC(C)c1ccc(C=O)nc1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.34
TYR P14679 1/20 0.33
CCR1 P32246 1/20 0.31

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
SCHEMBL934018 0.80 TYR (0.48) KCNJ1TYRCCR1
SCHEMBL2552973 0.77 ADRB2 (0.38) KCNJ1TYRCCR1
SCHEMBL15330558 0.77 ADRB2 (0.38) KCNJ1TYRCCR1
SCHEMBL7089260 0.74 ALDH1A1 (0.39) KCNJ1TYR
SCHEMBL25912492 0.74 KCNJ1 (0.35) KCNJ1TYRCCR1
SCHEMBL2553741 0.74 KCNJ1 (0.35) KCNJ1TYRCCR1
SCHEMBL15329724 0.74 KCNJ1 (0.35) KCNJ1TYRCCR1
SCHEMBL20489882 0.72 KCNJ1 (0.39) KCNJ1TYRCCR1
SCHEMBL578235 0.72 FGFR4 (0.43) KCNJ1CCR1
SCHEMBL31167295 0.72 FGFR4 (0.43) KCNJ1CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023134647-A1 PIPERAZINO RING-CONTAINING DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 优领医药科技(香港)有限公司 2023-07-20 WO disclosed