SCHEMBL23429020

SCHEMBL23429020

Cc1cccc(C(NC(C)C)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.45
EPHX1 P07099 1/20 0.43
SLC6A9 P48067 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
HSD17B2 P37059 1/20 0.40
TEAD4 Q15561 1/20 0.40
ACHE P22303 1/20 0.39
TACR1 P25103 1/20 0.39
KCNH3 Q9ULD8 1/20 0.39
LMNA P02545 2/20 0.38
GPR139 Q6DWJ6 1/20 0.38
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MTOR P42345 1/20 0.36
RAB9A P51151 1/20 0.36
GRM7 Q14831 1/20 0.36
MAPT P10636 2/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL9843925 0.84 MTOR (0.48) NPSR1TEAD4LMNAGAAL3MBTL1
SCHEMBL13164341 0.82 LMNA (0.53) NPSR1TEAD4ACHETACR1LMNA
SCHEMBL23429176 0.82 SLC6A9 (0.43) ACP3EPHX1SLC6A9SLC6A5HSD17B2
SCHEMBL17586585 0.80 NPSR1 (0.42) ACP3EPHX1NPSR1HSD17B2LMNA
SCHEMBL17065061 0.80 KDM4E (0.40) TEAD4TACR1LMNAGAAL3MBTL1
SCHEMBL31067577 0.80 KDM4E (0.40) TEAD4TACR1LMNAGAAL3MBTL1
SCHEMBL25628030 0.79 ACHE (0.44) ACP3EPHX1ACHEGPR139
SCHEMBL21600873 0.79 ACHE (0.44) ACP3EPHX1ACHEGPR139
SCHEMBL23429097 0.78 GAA (0.50) ACP3SLC6A9SLC6A5HSD17B2GAA
SCHEMBL25665861 0.78 GAA (0.50) ACP3SLC6A9SLC6A5HSD17B2GAA

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
EP-4180424-A1 SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BioCryst Pharmaceuticals, Inc. (US) 2023-05-17 EP disclosed
EP-3828173-A1 SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BioCryst Pharmaceuticals, Inc. (US) 2021-06-02 EP disclosed