SCHEMBL7459741

SCHEMBL7459741

COc1cc(NC(=O)Oc2ccccc2)ccc1S(=O)(=O)N1C(=O)C(N)(c2ccccc2Cl)c2cc(Cl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
AVPR1B P47901 16/20 0.44
AVPR1A P37288 5/20 0.44
OXTR P30559 4/20 0.44
AVPR2 P30518 2/20 0.44
GPR65 Q8IYL9 1/20 0.44
MAPT P10636 1/20 0.37
GABRA1 P14867 1/20 0.37
ADRA2C P18825 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
P2RX4 Q99571 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL7469886 0.89 POLB (0.46) POLBAVPR1BAVPR1AOXTRAVPR2
SCHEMBL8742777 0.88 POLB (0.45) POLBAVPR1BAVPR1AOXTRAVPR2
SCHEMBL7470715 0.87 POLB (0.44) POLBAVPR1BAVPR1AOXTRAVPR2
SCHEMBL7468172 0.85 AVPR1B (0.43) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL7467483 0.85 POLB (0.42) POLBAVPR1BAVPR1AOXTRAVPR2
SCHEMBL7473969 0.84 AVPR1B (0.46) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL5677707 0.83 AVPR1B (0.57) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL7462034 0.82 AVPR1B (0.48) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL7465671 0.80 AVPR1B (0.43) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL5674427 0.80 AVPR1B (0.51) 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 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