SCHEMBL18725232

SCHEMBL18725232

CN(C)c1nn(Cc2ccc(N3CCCC3)nc2)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 11/20 0.47
▸ AOC3 Q16853 2/20 0.42
▸ CACNA1H O95180 7/20 0.41
▸ F11 P03951 2/20 0.41

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
SCHEMBL16246763 0.83 KLKB1 (0.61) KLKB1AOC3CACNA1HF11
SCHEMBL17786970 0.82 KLKB1 (0.59) KLKB1CACNA1HF11
SCHEMBL16246851 0.80 KLKB1 (0.60) KLKB1AOC3
SCHEMBL31339412 0.80 KLKB1 (0.63) KLKB1F11
SCHEMBL16246724 0.80 KLKB1 (0.63) KLKB1F11
SCHEMBL17786820 0.80 KLKB1 (0.53) KLKB1AOC3CACNA1HF11
SCHEMBL18725234 0.79 KLKB1 (0.46) KLKB1AOC3
SCHEMBL17785375 0.76 KLKB1 (0.58) KLKB1F11
SCHEMBL17685591 0.76 KLKB1 (0.45) KLKB1AOC3CACNA1HF11
SCHEMBL17685593 0.76 KLKB1 (0.43) KLKB1AOC3CACNA1HF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3305778-B1 INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2022-01-19 — — EP disclosed
EP-3305778-A1 INHIBITORS OF PLASMA KALLIKREIN Kalvista Pharmaceuticals Limited (GB) 2018-04-11 — — EP disclosed
EP-2999697-B1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LTD (GB) 2017-04-19 — — EP disclosed
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