SCHEMBL30739032

SCHEMBL30739032

CCOC(=O)c1cnn(Cc2ccc(Cc3cccc(C#N)c3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 4/20 0.50
▸ CREBBP Q92793 1/20 0.48
▸ GRM2 Q14416 1/20 0.46
▸ GRM5 P41594 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ ITK Q08881 4/20 0.42
▸ AURKA O14965 3/20 0.42
▸ SCD O00767 1/20 0.42
▸ ELANE P08246 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ ALKBH1 Q13686 1/20 0.42
▸ MAP2K1 Q02750 1/20 0.41
▸ TAS2R8 Q9NYW2 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL30739056 0.90 KLKB1 (0.50) KLKB1GRM2ITKSCDELANE
SCHEMBL20529831 0.86 KLKB1 (0.52) KLKB1GRM2ITKSCDELANE
SCHEMBL31591059 0.84 KLKB1 (0.52) KLKB1CREBBPPOLBITKAURKA
SCHEMBL30739156 0.84 KLKB1 (0.51) KLKB1GRM2ITKSCDELANE
SCHEMBL30739164 0.84 KLKB1 (0.51) KLKB1GRM2ITKSCDELANE
SCHEMBL30739112 0.81 GRM2 (0.44) KLKB1GRM2GRM5ALDH1A1LMNA
SCHEMBL553848 0.80 ALDH1A1 (0.60) KLKB1CREBBPGRM2ALDH1A1LMNA
SCHEMBL30739083 0.80 GRM2 (0.48) KLKB1GRM2ALDH1A1LMNA
SCHEMBL1909166 0.79 GRM2 (0.53) KLKB1GRM2ALDH1A1LMNA
SCHEMBL30739047 0.79 GRM2 (0.43) KLKB1GRM2ALDH1A1LMNA

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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