SCHEMBL7464945

SCHEMBL7464945

CCN(CC)c1ccc(S(=O)(=O)N2C(=O)C(NC(=O)OC)(c3ccccc3Cl)c3cc(Cl)ccc32)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 18/20 0.45
OXTR P30559 7/20 0.45
AVPR1A P37288 7/20 0.45
AVPR2 P30518 3/20 0.45
GPR65 Q8IYL9 1/20 0.45
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL7471178 0.89 AVPR1B (0.54) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL7471418 0.87 AVPR1B (0.43) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL7471933 0.87 AVPR1B (0.42) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL7472067 0.86 AVPR1B (0.44) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL7467475 0.85 AVPR1B (0.52) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL7474922 0.84 AVPR1B (0.43) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL7466480 0.83 AVPR1B (0.52) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL7471248 0.83 AVPR1B (0.42) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL5674427 0.83 AVPR1B (0.51) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL7468544 0.82 AVPR1B (0.54) AVPR1BOXTRAVPR1AAVPR2GPR65

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 4 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-5773612-A VASOPRESSIN OR OXYTOCIN RECEPTORS SANOFI (FR) 1998-06-30 US 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