SCHEMBL21914811

SCHEMBL21914811

CC(Oc1ccc(-c2nc(C3(F)CC3)n[nH]2)cc1)/C(=C/F)CN

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 19/20 0.46
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 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
SCHEMBL21889048 0.80 AOC3 (0.68) AOC3
SCHEMBL21914810 0.68 PRMT5 (0.46)
SCHEMBL21914814 0.66 AOC3 (0.49) AOC3
SCHEMBL25832182 0.64 AOC3 (0.71) AOC3
SCHEMBL21914380 0.63 AOC3 (0.68) AOC3
SCHEMBL21889284 0.62 AOC3 (1.00) AOC3
SCHEMBL21889005 0.62 AOC3 (0.76) AOC3
SCHEMBL21889178 0.60 AOC3 (0.72) AOC3
SCHEMBL21889848 0.59 AOC3 (0.71) AOC3
SCHEMBL20709014 0.59 AOC3 (0.61) AOC3

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
EP-3626699-B1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2023-07-12 EP disclosed
EP-3626699-A1 SSAO INHIBITOR Shandong Danhong Pharmaceutical Co., Ltd. (CN) 2020-03-25 EP disclosed