SCHEMBL31033233

SCHEMBL31033233

Cc1nc(N2CC3CC3C2)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c(C)n[nH]c32)cn1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.79

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
SCHEMBL21713000 1.00 KLKB1 (0.79) KLKB1
SCHEMBL21712943 1.00 KLKB1 (0.79) KLKB1
SCHEMBL21712939 1.00 KLKB1 (0.79) KLKB1
SCHEMBL31033244 1.00 KLKB1 (0.79) KLKB1
SCHEMBL31033215 1.00 KLKB1 (0.79) KLKB1
SCHEMBL21712967 0.90 KLKB1 (0.80) KLKB1
SCHEMBL21746982 0.90 KLKB1 (0.80) KLKB1
SCHEMBL22134226 0.90 KLKB1 (0.71) KLKB1
SCHEMBL22134225 0.90 KLKB1 (0.71) KLKB1
SCHEMBL22134224 0.90 KLKB1 (0.71) KLKB1

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-113039181-B Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein 勃林格殷格翰国际有限公司 2024-08-13 CN disclosed