SCHEMBL7463753

SCHEMBL7463753

CCCN(CC)C(=O)c1ccc(CN2C(=O)C(c3ccccc3Cl)(N(C)C)c3cc(Cl)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.43
AVPR1A P37288 2/20 0.43
HTT P42858 1/20 0.42
TP53 P04637 4/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.38
SCN9A Q15858 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.38

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
SCHEMBL7460259 0.85 SCN9A (0.46) TP53HDAC1HDAC6ALDH1A1MAPT
SCHEMBL7462560 0.84 MAPT (0.41) TP53HDAC1HDAC6ALDH1A1MAPT
SCHEMBL7463750 0.81 HDAC1 (0.45) HTTTP53HDAC1HDAC6ALDH1A1
SCHEMBL7470885 0.80 HDAC1 (0.46) TP53HDAC1HDAC6ALDH1A1MAPT
SCHEMBL7473484 0.80 SCN9A (0.43) TP53ALDH1A1MAPTSCN9APTGDR2
SCHEMBL7470158 0.78 GFER (0.48) TP53HDAC1HDAC6ALDH1A1MAPT
SCHEMBL7471478 0.75 PTGDR2 (0.43) ALDH1A1MAPTSCN9AMEN1KMT2A
SCHEMBL7472348 0.70 TP53 (0.44) TP53HDAC1HDAC6ALDH1A1MAPT
SCHEMBL7470580 0.70 PTGDR2 (0.48) TP53HDAC1HDAC6MAPTSCN9A
SCHEMBL7471256 0.69 NPSR1 (0.43) HTTTP53ALDH1A1MAPTMEN1

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