SCHEMBL31075241

SCHEMBL31075241

CCOC(=O)c1cnn(C(CO)c2ccc(Cc3ccccn3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KLKB1 P03952 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
S1PR3 Q99500 5/20 0.38
ALOX15 P16050 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
HPGD P15428 2/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 2/20 0.37
SLC11A2 P49281 1/20 0.37
MAOB P27338 1/20 0.36

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
SCHEMBL31075206 0.86 EGLN1 (0.43) PGRADORA3PTGS1SLC6A2KLKB1
SCHEMBL553163 0.83 KLKB1 (0.52) ALDH1A1KLKB1MAPTLMNAGAA
SCHEMBL25911754 0.76 ITK (0.46) ALDH1A1KLKB1MAPTLMNAGAA
SCHEMBL16827699 0.72 CREBBP (0.51) ALDH1A1MAPTLMNAGAAS1PR3
SCHEMBL23212254 0.72 CYP1A2 (0.55) ALDH1A1KLKB1MAPTLMNAGAA
SCHEMBL12913218 0.72 CYP1A2 (0.55) ALDH1A1KLKB1MAPTLMNAGAA
SCHEMBL949168 0.72 CYP1A2 (0.55) ALDH1A1KLKB1MAPTLMNAGAA
SCHEMBL5106095 0.71 CYP1A2 (0.47) ALDH1A1MAPTLMNAGAANPC1
SCHEMBL30825007 0.70 NPY2R (0.41) ALDH1A1KLKB1MAPTLMNAGAA
SCHEMBL25911826 0.70 CYP1A2 (0.45) ALDH1A1KLKB1MAPTLMNAGAA

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-4665330-A1 PLASMA KALLIKREIN INHIBITORS Merck Sharp & Dohme LLC (US) 2025-12-24 EP disclosed
WO-2024173196-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-08-22 WO disclosed