SCHEMBL7466241

SCHEMBL7466241

CCN(CC)C(=O)NC1(c2ccccc2Cl)C(=O)N(S(=O)(=O)c2ccc(NC(=O)Oc3ccccc3)cc2)c2ccc(Cl)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 4/20 0.37
GAA P10253 1/20 0.36
POLB P06746 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
AVPR1B P47901 2/20 0.34
PRNP P04156 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.34
GFER P55789 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RAD51 Q06609 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
NAMPT P43490 1/20 0.33
FAAH O00519 4/20 0.33
TRPV1 Q8NER1 1/20 0.33
LMNA P02545 1/20 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
SCHEMBL7472220 0.94 NPSR1 (0.40) NPSR1MAPTGAAMEN1KMT2A
SCHEMBL7466648 0.91 NPSR1 (0.45) NPSR1MAPTGAAMEN1KMT2A
SCHEMBL7475739 0.87 NPSR1 (0.38) NPSR1MAPTGAAAVPR1BPRNP
SCHEMBL7475734 0.86 NPSR1 (0.37) NPSR1MAPTGAAPOLBPRNP
SCHEMBL7472235 0.85 NPSR1 (0.36) NPSR1MAPTGAAAVPR1BTHRB
SCHEMBL7461629 0.84 NPSR1 (0.43) NPSR1MAPTGAAMEN1KMT2A
SCHEMBL7473127 0.83 NPSR1 (0.40) NPSR1MAPTGAAMEN1KMT2A
SCHEMBL7468569 0.83 FLT1 (0.35) NPSR1MAPTMEN1KMT2AAVPR1B
Water SCHEMBL8742816 0.83 NPSR1 (0.39) NPSR1MAPTGAAMEN1KMT2A
Water SCHEMBL8742815 0.83 NPSR1 (0.39) NPSR1MAPTGAAMEN1KMT2A

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