SCHEMBL7476845

SCHEMBL7476845

O=C(NCCCC[C@@H](CO)NC1(c2ccccc2Cl)C(=O)Nc2ccc(Cl)cc21)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
FOLH1 Q04609 5/20 0.40
HTT P42858 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
TGM2 P21980 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 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
SCHEMBL7474973 0.89 MAPT (0.40) MMP2MMP9FOLH1HTTDPP8
SCHEMBL9288393 0.89 MAPT (0.40) MMP2MMP9FOLH1HTTDPP8
SCHEMBL7464937 0.88 MMP2 (0.46) MMP2MMP9FOLH1TGM2MEN1
SCHEMBL7470738 0.88 MMP2 (0.46) MMP2MMP9FOLH1TGM2MEN1
SCHEMBL9264893 0.78 SIRT2 (0.46) MMP2MMP9TGM2
SCHEMBL8590371 0.73 FOLH1 (0.43) MMP2MMP9FOLH1HTTDPP8
SCHEMBL7473949 0.72 DRD2 (0.43) KMT2AMAPT
SCHEMBL7468418 0.72 KAT2B (0.44) MEN1KMT2AL3MBTL1MAPT
SCHEMBL9283365 0.72 BRD4 (0.49)
SCHEMBL7473970 0.70 ADCY8 (0.42) MEN1KMT2A

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-0687251-B1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI SYNTHELABO (FR) 2002-02-27 EP disclosed
US-5594023-A 1,3-dihydroindol-2-one derivatives substituted in the 3-position by a nitrogen-containing group, their preparation and the pharmaceutical compositions in which they are present SANOFI (FR) 1997-01-14 US disclosed
WO-1995018105-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-07-06 WO disclosed