SCHEMBL7467895

SCHEMBL7467895

CCN(CC)C(=O)N1CCc2cc(S(=O)(=O)N3C(=O)C(NCCCCCN)(c4ccccc4Cl)c4cc(Cl)ccc43)ccc21

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 18/20 0.41
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39

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
Trifluoroacetic Acid SCHEMBL8590187 0.96 PTPN11 (0.39) PTPN11ADRB2ADRB1ADRB3
SCHEMBL7466955 0.86 PTPN11 (0.37) PTPN11
SCHEMBL7466247 0.84 PTPN11 (0.39) PTPN11
SCHEMBL7471274 0.83 NPSR1 (0.38) PTPN11
SCHEMBL7470458 0.83 PTPN11 (0.40) PTPN11
SCHEMBL7477081 0.83 GPR119 (0.49)
SCHEMBL7469139 0.83 PTPN11 (0.39) PTPN11ADRB2ADRB1ADRB3
SCHEMBL7477246 0.83 NPSR1 (0.39) PTPN11
Trifluoroacetic Acid SCHEMBL8742909 0.82 PTPN11 (0.35) PTPN11
SCHEMBL7473790 0.81 LMNA (0.46) PTPN11

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-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
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