SCHEMBL7472874

SCHEMBL7472874

CCN(CC)C(=O)N1CCc2cc(S(=O)(=O)N3C(=O)C(N[C@H](CO)CCCCNC(=O)OCc4ccccc4)(c4ccccc4Cl)c4cc(Cl)ccc43)ccc21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 16/20 0.38
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34
FOLH1 Q04609 1/20 0.34

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
SCHEMBL7465134 0.94 PTPN11 (0.37) PTPN11MMP2MMP9
SCHEMBL7467895 0.79 PTPN11 (0.41) PTPN11ADRB2ADRB1ADRB3
SCHEMBL7464677 0.79 MMP2 (0.41) MMP2MMP9FOLH1
SCHEMBL7467700 0.79 MMP2 (0.41) MMP2MMP9FOLH1
Trifluoroacetic Acid SCHEMBL8590187 0.76 PTPN11 (0.39) PTPN11ADRB2ADRB1ADRB3
SCHEMBL7470458 0.76 PTPN11 (0.40) PTPN11
SCHEMBL8589876 0.75 PTPN11 (0.36) PTPN11MMP2MMP9ADRB2ADRB1
SCHEMBL7466955 0.74 PTPN11 (0.37) PTPN11
SCHEMBL7466247 0.74 PTPN11 (0.39) PTPN11
Trifluoroacetic Acid SCHEMBL8742747 0.73 PTPN11 (0.37) PTPN11ADRB2ADRB1ADRB3

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