SCHEMBL7474812

SCHEMBL7474812

CCN(CC)C(=O)Nc1ccc(S(=O)(=O)N2C(=O)C(NCCN3CCNCC3)(c3ccccc3Cl)c3cc(Cl)ccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 2/20 0.36
PRNP P04156 1/20 0.35
MAPT P10636 4/20 0.34
NAMPT P43490 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
USP2 O75604 1/20 0.33
ALOX12 P18054 1/20 0.33
PABPC1 P11940 1/20 0.33
BLM P54132 1/20 0.33
AVPR1B P47901 3/20 0.33
OXTR P30559 2/20 0.33
AVPR1A P37288 2/20 0.33

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
SCHEMBL7471072 0.93 KMT2A (0.39) NPSR1GAAPRNPMAPTNAMPT
SCHEMBL7466948 0.88 NPSR1 (0.36) NPSR1GAAPRNPMAPTMEN1
SCHEMBL7471625 0.88 NPSR1 (0.41) NPSR1GAAPRNPMAPTNAMPT
SCHEMBL7471039 0.87 NPSR1 (0.37) NPSR1GAAPRNPMAPTMEN1
SCHEMBL7468576 0.85 NPSR1 (0.39) NPSR1GAAPRNPMAPTMEN1
SCHEMBL7471149 0.85 NPSR1 (0.39) NPSR1GAAPRNPMAPTNAMPT
SCHEMBL8742735 0.85 NPSR1 (0.40) NPSR1GAAPRNPMAPTNAMPT
SCHEMBL7477246 0.85 NPSR1 (0.39) NPSR1GAAPRNPMAPTNAMPT
Bromide SCHEMBL8592941 0.85 NPSR1 (0.39) NPSR1GAAPRNPMAPTMEN1
SCHEMBL7466648 0.85 NPSR1 (0.45) NPSR1GAAPRNPMAPTNAMPT

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 5 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
EP-0687251-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) 1995-12-20 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