SCHEMBL23014371

SCHEMBL23014371

NCC1CNc2ccc(Cl)cc2O1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
KLKB1 P03952 1/20 0.39
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
AQP1 P29972 1/20 0.36
HTR2C P28335 4/20 0.36
HTR2B P41595 4/20 0.36
HTR2A P28223 3/20 0.36
GBA1 P04062 1/20 0.33
AHR P35869 2/20 0.33
CASR P41180 1/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL29481447 1.00 CA2 (0.40) CA2CA1KLKB1SLC6A4SLC6A2
SCHEMBL30052791 0.88 CA2 (0.40) CA2CA1SLC6A4SLC6A2SLC6A3
SCHEMBL24997327 0.88 CA2 (0.40) CA2CA1SLC6A4SLC6A2SLC6A3
SCHEMBL2638179 0.77 CASR (0.47) CA2SLC6A4SLC6A2SLC6A3CASR
SCHEMBL23920083 0.76 AKR1B1 (0.39) CA2CA1SLC6A4SLC6A2HRH4
SCHEMBL23920087 0.76 AHR (0.35) CA2CA1KLKB1HTR2CAHR
SCHEMBL22955689 0.76 AKR1B1 (0.39) CA2CA1SLC6A4SLC6A2HRH4
SCHEMBL23920182 0.76 AKR1B1 (0.39) CA2CA1SLC6A4SLC6A2HRH4
SCHEMBL23013290 0.74 ADAMTS5 (0.40) KLKB1
SCHEMBL29481459 0.74 ADAMTS5 (0.40) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4017586-A1 ENZYME INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-29 EP disclosed
CN-114269431-A Enzyme inhibitors 卡尔维斯塔制药有限公司 2022-04-01 CN disclosed
WO-2021032933-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed
WO-2021032933-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed