SCHEMBL4649752

SCHEMBL4649752

CCc1ccc(-c2ccccc2C(=O)N2CCC(O)C2C(=O)OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.41
HCRTR2 O43614 5/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
MLNR O43193 2/20 0.38
CYP3A4 P08684 2/20 0.38
SLC6A3 Q01959 3/20 0.38
SLC6A4 P31645 2/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
HTR4 Q13639 1/20 0.38
PDK2 Q15119 1/20 0.37

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
SCHEMBL203327 1.00 HCRTR1 (0.41) HCRTR1HCRTR2SCN1ASCN2ASCN3A
SCHEMBL200867 0.92 HCRTR1 (0.40) HCRTR1HCRTR2SCN1ASCN2ASCN3A
SCHEMBL201357 0.88 HCRTR1 (0.41) HCRTR1HCRTR2SCN1ASCN2ASCN3A
SCHEMBL201735 0.81 LMNA (0.42) HCRTR1HCRTR2SCN1ASCN2ASCN3A
SCHEMBL202381 0.81 HCRTR1 (0.40) HCRTR1HCRTR2SCN1ASCN2ASCN3A
SCHEMBL200939 0.81 HCRTR1 (0.40) HCRTR1HCRTR2SCN1ASCN2ASCN3A
SCHEMBL202562 0.81 HCRTR1 (0.40) HCRTR1HCRTR2LMNAKDM4EMLNR
SCHEMBL200952 0.81 HCRTR1 (0.40) HCRTR1HCRTR2SCN1ASCN2ASCN3A
SCHEMBL201129 0.80 HCRTR1 (0.41) HCRTR1HCRTR2SCN1ASCN2ASCN3A
SCHEMBL201878 0.79 HCRTR1 (0.38) HCRTR1HCRTR2LMNAMLNRCYP3A4

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-1963262-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2008-09-03 EP disclosed
WO-2007069020-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-06-21 WO disclosed