SCHEMBL28825217

SCHEMBL28825217

Cc1cc(N)c(C)c(C)c1C(N)=O.Cc1cnn(Cc2ccc(Cn3cnc(C(=O)O)c3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 19/20 0.54
▸ KLK1 P06870 4/20 0.41
▸ NR1I2 O75469 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ GRM2 Q14416 1/20 0.39

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
SCHEMBL28047227 0.85 KLKB1 (0.55) KLKB1KLK1NR1I2KCNH2GRM2
SCHEMBL28047222 0.85 KLKB1 (0.49) KLKB1KLK1NR1I2KCNH2GRM2
SCHEMBL16246696 0.84 KLKB1 (0.66) KLKB1KLK1
SCHEMBL28269562 0.81 KLKB1 (0.43) KLKB1KLK1NR1I2KCNH2GRM2
SCHEMBL28047169 0.80 KLKB1 (0.68) KLKB1KLK1
SCHEMBL28825216 0.80 KLKB1 (0.65) KLKB1KLK1
SCHEMBL28047164 0.80 KLKB1 (0.54) KLKB1KLK1
SCHEMBL28047224 0.79 KLKB1 (0.65) KLKB1KLK1
SCHEMBL28047228 0.78 KLKB1 (0.59) KLKB1KLK1NR1I2KCNH2GRM2
SCHEMBL27316344 0.73 P4HTM (0.50) KLKB1KLK1NR1I2KCNH2GRM2

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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