SCHEMBL7466089

SCHEMBL7466089

CCOC(=O)NC1(c2ccccc2Cl)C(=O)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c2ccc(Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 14/20 0.40
OXTR P30559 6/20 0.40
AVPR1A P37288 6/20 0.40
AVPR2 P30518 2/20 0.40
GPR65 Q8IYL9 1/20 0.40
HTT P42858 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7474922 0.93 AVPR1B (0.43) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL7471384 0.90 AVPR1B (0.44) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL7471248 0.88 AVPR1B (0.42) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL7467483 0.84 POLB (0.42) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL7471178 0.81 AVPR1B (0.54) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL7471418 0.81 AVPR1B (0.43) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL7470397 0.81 SMN1; SMN2 (0.41) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL7472067 0.81 AVPR1B (0.44) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL7464945 0.81 AVPR1B (0.45) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL7471223 0.81 AVPR1B (0.45) 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