SCHEMBL25836744

SCHEMBL25836744

Cn1nc(CC2CC2)nc1-c1ccc(O)cc1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.41
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
ESR1 P03372 13/20 0.37
ESR2 Q92731 4/20 0.37
JAK1 P23458 1/20 0.36
USP7 Q93009 1/20 0.36
AR P10275 1/20 0.35

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
SCHEMBL21889538 0.78 AOC3 (0.56) AOC3ESR1ESR2JAK1USP7
SCHEMBL23447605 0.67 KCNQ3 (0.37) AOC3
SCHEMBL10304594 0.67 PDE10A (0.43) AOC3
SCHEMBL31645641 0.65 ESR1 (0.45) ESR1ESR2USP7AR
SCHEMBL23447270 0.63 PDE10A (0.38) AOC3
SCHEMBL25792147 0.62 AR (0.40) ESR1ESR2USP7AR
SCHEMBL23447263 0.62 CRHR1 (0.40) AOC3
SCHEMBL24407519 0.62 GAA (0.40) AOC3
SCHEMBL29557461 0.61 ESR1 (0.74) ESR1ESR2AR
SCHEMBL2862424 0.61 ESR1 (0.74) ESR1ESR2AR

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
EP-3626699-B1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2023-07-12 EP disclosed