SCHEMBL30739255

SCHEMBL30739255

CCOC(=O)c1cnn(Cc2ccc(CCC#N)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ KLKB1 P03952 6/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ AGTR1 P30556 1/20 0.39
▸ AGTR2 P50052 1/20 0.39
▸ KLK1 P06870 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ CA7 P43166 1/20 0.38

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
SCHEMBL30739083 0.88 GRM2 (0.48) GRM2ALDH1A1LMNAKLKB1NPC1
SCHEMBL20529831 0.86 KLKB1 (0.52) GRM2ALDH1A1LMNAKLKB1SMN1; SMN2
SCHEMBL30739122 0.85 GRM2 (0.52) GRM2ALDH1A1LMNAKLKB1NPC1
SCHEMBL1909166 0.85 GRM2 (0.53) GRM2ALDH1A1LMNAKLKB1NPC1
SCHEMBL2821953 0.84 LMNA (0.54) GRM2ALDH1A1LMNAKLKB1NPC1
SCHEMBL28595790 0.84 ESR1 (0.55) GRM2ALDH1A1LMNAKLKB1NPC1
SCHEMBL30739156 0.84 KLKB1 (0.51) GRM2LMNAKLKB1SMN1; SMN2
SCHEMBL30739164 0.84 KLKB1 (0.51) GRM2LMNAKLKB1SMN1; SMN2
SCHEMBL30739075 0.83 GRM2 (0.48) GRM2ALDH1A1LMNAKLKB1NPC1
SCHEMBL30739056 0.83 KLKB1 (0.50) GRM2ALDH1A1LMNAKLKB1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4561993-A1 INHIBITORS OF PLASMA KALLIKREIN Rezolute, Inc. (US) 2025-06-04 — — EP disclosed
CN-120051460-A Plasma kallikrein inhibitors 瑞泽路特有限公司 2025-05-27 — — CN disclosed
WO-2024025907-A1 INHIBITORS OF PLASMA KALLIKREIN REZOLUTE, INC. (US) 2024-02-01 — — WO disclosed
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