SCHEMBL7472316

SCHEMBL7472316

COc1cc(C(=O)O)ccc1S(=O)(=O)N1C(=O)C(NC(C)=O)(c2ccccc2Cl)c2cc(Cl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 17/20 0.46
AVPR1A P37288 6/20 0.46
OXTR P30559 6/20 0.46
AVPR2 P30518 3/20 0.46
GPR65 Q8IYL9 1/20 0.46
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
TTR P02766 1/20 0.38
FABP4 P15090 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
SCHEMBL7475235 0.92 AVPR1B (0.45) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL7472589 0.91 AVPR1B (0.44) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL8594323 0.89 AVPR1B (0.42) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL7467205 0.89 AVPR1B (0.46) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL7471384 0.86 AVPR1B (0.44) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL7470715 0.85 POLB (0.44) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL7473969 0.85 AVPR1B (0.46) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL8591842 0.84 AVPR1B (0.39) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL7471178 0.83 AVPR1B (0.54) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL7468544 0.83 AVPR1B (0.54) AVPR1BAVPR1AOXTRAVPR2GPR65

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
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