SCHEMBL28825241

SCHEMBL28825241

CNCc1c(C)cc(N)cc1C.Cc1cc(C(=O)O)cc(C(=O)O)c1.Cc1cnn(Cc2ccc(Cn3cc(C(=O)O)cn3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.59
▸ KLK1 P06870 3/20 0.51

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
SCHEMBL28047220 0.96 KLKB1 (0.63) KLKB1KLK1
SCHEMBL28825256 0.86 KLKB1 (0.62) KLKB1KLK1
SCHEMBL28047171 0.84 KLKB1 (0.62) KLKB1KLK1
SCHEMBL28047165 0.84 KLKB1 (0.64) KLKB1KLK1
SCHEMBL28269561 0.83 KLKB1 (0.54) KLKB1KLK1
SCHEMBL28825216 0.82 KLKB1 (0.65) KLKB1KLK1
SCHEMBL28047163 0.82 KLKB1 (0.65) KLKB1KLK1
SCHEMBL28047225 0.80 KLKB1 (0.68) KLKB1KLK1
SCHEMBL28047173 0.80 KLKB1 (0.68) KLKB1
SCHEMBL16246805 0.80 KLKB1 (0.62) KLKB1KLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105143201-A Benzylamine derivatives KALVISTA PHARMACEUTICALS LTD 2015-12-09 — — CN claimed
CN-105143201-A Benzylamine derivatives KALVISTA PHARMACEUTICALS LTD 2015-12-09 — — CN disclosed
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