SCHEMBL31456735

SCHEMBL31456735

CO[C@@H]1C[C@H](C(=O)Nc2cc(C(CCC3CC3)(N[S@+]([O-])C(C)(C)C)c3ccnc(C)c3)ccc2F)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 14/20 0.44
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ F10 P00742 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KDR P35968 2/20 0.32
▸ BRAF P15056 1/20 0.32

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
SCHEMBL21726682 1.00 KLKB1 (0.44) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL20446635 1.00 KLKB1 (0.44) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL20584547 0.93 KLKB1 (0.46) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL20446608 0.93 KLKB1 (0.46) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL31456783 0.93 KLKB1 (0.46) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL21726714 0.90 KLKB1 (0.45) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL22685920 0.90 KLKB1 (0.45) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL20446649 0.90 KLKB1 (0.45) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL29489465 0.90 KLKB1 (0.45) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL22685022 0.88 KLKB1 (0.56) KLKB1CYP1A2POLBCYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591212-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2025-01-28 — — CN disclosed
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