SCHEMBL31456783

SCHEMBL31456783

CO[C@@H]1C[C@H](C(=O)Nc2cc(C(CCC3CC3)(N[S@+]([O-])C(C)(C)C)c3ccncc3)ccc2F)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 17/20 0.46
▸ CYP1A2 P05177 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ F10 P00742 2/20 0.34

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
SCHEMBL20584547 1.00 KLKB1 (0.46) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL20446608 1.00 KLKB1 (0.46) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL28721767 0.93 KLKB1 (0.44) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL21726682 0.93 KLKB1 (0.44) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL31456735 0.93 KLKB1 (0.44) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL20446635 0.93 KLKB1 (0.44) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL20584643 0.93 KLKB1 (0.44) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL29581413 0.93 KLKB1 (0.44) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL24012038 0.92 KLKB1 (0.54) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL20584253 0.92 KLKB1 (0.47) 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
Send feedback