SCHEMBL4690394

SCHEMBL4690394

C[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1N

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.51
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
HCRTR1 O43613 7/20 0.43
HCRTR2 O43614 7/20 0.43
CYP3A4 P08684 7/20 0.43
ABL1 P00519 1/20 0.43
KCNK3 O14649 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL4494743 1.00 CCKBR (0.51) CCKBRKDM4EALDH1A1TDP1ALOX5AP
SCHEMBL4693862 1.00 CCKBR (0.51) CCKBRKDM4EALDH1A1TDP1ALOX5AP
SCHEMBL4690393 0.86 CCKBR (0.50) CCKBRKDM4EALDH1A1ALOX5APFEN1
SCHEMBL4693858 0.86 CCKBR (0.50) CCKBRKDM4EALDH1A1ALOX5APFEN1
SCHEMBL4494740 0.86 CCKBR (0.50) CCKBRKDM4EALDH1A1ALOX5APFEN1
SCHEMBL4505084 0.85 ALOX5AP (0.46) CCKBRALOX5APFEN1HCRTR1HCRTR2
SCHEMBL4693808 0.85 ALOX5AP (0.46) CCKBRALOX5APFEN1HCRTR1HCRTR2
SCHEMBL4692965 0.85 ALOX5AP (0.46) CCKBRALOX5APFEN1HCRTR1HCRTR2
SCHEMBL4693148 0.85 ALOX5AP (0.46) CCKBRALOX5APFEN1HCRTR1HCRTR2
SCHEMBL4510279 0.85 ALOX5AP (0.46) CCKBRALOX5APFEN1HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651621-B1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-06 EP claimed