SCHEMBL7466948

SCHEMBL7466948

CCN(CC)C(=O)Nc1ccc(S(=O)(=O)N2C(=O)C(NCCC3CCNCC3)(c3ccccc3Cl)c3cc(Cl)ccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.35
PRNP P04156 1/20 0.35
CHRM1 P11229 3/20 0.33
CRHR1 P34998 1/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
GNRHR P30968 1/20 0.32
KCNH2 Q12809 1/20 0.32
LMNA P02545 2/20 0.32
OXTR P30559 2/20 0.32
AVPR1A P37288 2/20 0.32
AVPR1B P47901 2/20 0.32
TP53 P04637 2/20 0.32
THRB P10828 1/20 0.32
CACNA1B Q00975 1/20 0.32

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
SCHEMBL7471039 0.93 NPSR1 (0.37) NPSR1GAAPRNPCHRM1CRHR1
SCHEMBL236066 0.93 NPSR1 (0.33) NPSR1GAAPRNPCHRM1MAPT
SCHEMBL234713 0.91 MAPT (0.32) NPSR1GAAPRNPCHRM1MAPT
Trifluoroacetic Acid SCHEMBL8742751 0.90 CACNA1B (0.38) NPSR1GAAPRNPCHRM1MAPT
SCHEMBL7468576 0.89 NPSR1 (0.39) NPSR1GAAPRNPCRHR1MAPT
SCHEMBL7474812 0.88 NPSR1 (0.36) NPSR1GAAPRNPMAPTMEN1
Bromide SCHEMBL8592941 0.88 NPSR1 (0.39) NPSR1GAAPRNPCRHR1MAPT
SCHEMBL7471625 0.87 NPSR1 (0.41) NPSR1GAAPRNPMAPTMEN1
SCHEMBL7466955 0.85 PTPN11 (0.37) MAPTLMNATP53
SCHEMBL8742735 0.85 NPSR1 (0.40) NPSR1GAAPRNPMAPTLMNA

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