SCHEMBL7471072

SCHEMBL7471072

CCN(CC)C(=O)Nc1ccc(S(=O)(=O)N2C(=O)C(NCCN3CCN(C)CC3)(c3ccccc3Cl)c3cc(Cl)ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 2/20 0.39
USP2 O75604 1/20 0.39
OXTR P30559 2/20 0.38
AVPR1A P37288 2/20 0.38
AVPR1B P47901 2/20 0.38
ALDH1A1 P00352 2/20 0.37
CNR1 P21554 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NAMPT P43490 1/20 0.36
PRNP P04156 1/20 0.36
FGFR1 P11362 1/20 0.35
ALOX12 P18054 2/20 0.35
MCHR1 Q99705 1/20 0.35
BLM P54132 1/20 0.35
PABPC1 P11940 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
SCHEMBL7474812 0.93 NPSR1 (0.36) KMT2AMEN1GAAMAPTUSP2
SCHEMBL7471625 0.89 NPSR1 (0.41) KMT2AMEN1GAAMAPTUSP2
SCHEMBL7471149 0.86 NPSR1 (0.39) GAAMAPTAVPR1AAVPR1BALDH1A1
SCHEMBL7477246 0.86 NPSR1 (0.39) KMT2AMEN1GAAMAPTUSP2
SCHEMBL8742735 0.86 NPSR1 (0.40) GAAMAPTAVPR1BALDH1A1NPSR1
SCHEMBL7466648 0.86 NPSR1 (0.45) KMT2AMEN1GAAMAPTUSP2
SCHEMBL7471274 0.86 NPSR1 (0.38) KMT2AMEN1GAAMAPTUSP2
SCHEMBL7467560 0.86 NPSR1 (0.38) KMT2AMEN1GAAMAPTOXTR
SCHEMBL7476887 0.85 NPSR1 (0.39) KMT2AMEN1GAAMAPTUSP2
SCHEMBL7472360 0.85 NPSR1 (0.38) KMT2AMEN1GAAMAPTOXTR

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