SCHEMBL30739047

SCHEMBL30739047

CCOC(=O)c1cnn(Cc2ccc(-n3ccc(C#N)c3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.43
▸ KLKB1 P03952 8/20 0.42
▸ TDP1 Q9NUW8 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ APBA1 Q02410 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 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
SCHEMBL30739112 0.88 GRM2 (0.44) GRM2KLKB1TDP1MAPTALDH1A1
SCHEMBL20529831 0.87 KLKB1 (0.52) GRM2KLKB1TDP1MAPTALDH1A1
SCHEMBL30739156 0.85 KLKB1 (0.51) GRM2KLKB1TDP1MAPTLMNA
SCHEMBL30739164 0.85 KLKB1 (0.51) GRM2KLKB1TDP1MAPTLMNA
SCHEMBL31591078 0.84 KLKB1 (0.43) KLKB1MAPTALDH1A1LMNA
SCHEMBL30739056 0.84 KLKB1 (0.50) GRM2KLKB1TDP1MAPTALDH1A1
SCHEMBL30739083 0.80 GRM2 (0.48) GRM2KLKB1MAPTALDH1A1HTT
SCHEMBL1909166 0.80 GRM2 (0.53) GRM2KLKB1ALDH1A1LMNANPC1
SCHEMBL30739032 0.79 KLKB1 (0.50) GRM2KLKB1ALDH1A1LMNA
SCHEMBL2821953 0.79 LMNA (0.54) GRM2KLKB1TDP1MAPTALDH1A1

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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