SCHEMBL22993173

SCHEMBL22993173

COCc1nn(Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.49
▸ ESR2 Q92731 1/20 0.48
▸ KLKB1 P03952 7/20 0.45
▸ F11 P03951 9/20 0.45
▸ JAK2 O60674 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ HDAC1 Q13547 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
SCHEMBL29388404 1.00 NR1H2 (0.49) NR1H2ESR2KLKB1F11JAK2
SCHEMBL22993238 0.93 HDAC1 (0.46) NR1H2ESR2KLKB1F11HDAC1
SCHEMBL22981314 0.88 F11 (0.47) KLKB1F11
SCHEMBL29405107 0.85 F11 (0.56) KLKB1F11
SCHEMBL22982359 0.85 F11 (0.56) KLKB1F11
SCHEMBL29405895 0.84 HDAC1 (0.45) NR1H2ESR2KLKB1F11HDAC1
SCHEMBL24253253 0.83 KLKB1 (0.47) KLKB1F11
SCHEMBL22981213 0.82 F11 (0.45) KLKB1F11
SCHEMBL29405481 0.82 F11 (0.52) KLKB1F11
SCHEMBL22981499 0.77 KLKB1 (0.48) KLKB1F11

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
WO-2021028649-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 — — WO disclosed
WO-2021028645-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 — — WO disclosed
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