SCHEMBL7475734

SCHEMBL7475734

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HTT P42858 1/20 0.34
BRPF1 P55201 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
CASP3 P42574 1/20 0.33
HPGD P15428 1/20 0.33
PRNP P04156 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
SCHEMBL7466648 0.92 NPSR1 (0.45) NPSR1GAALMNAMAPTTP53
SCHEMBL7475739 0.88 NPSR1 (0.38) NPSR1GAALMNAMAPTALDH1A1
SCHEMBL7466241 0.86 NPSR1 (0.39) NPSR1GAALMNAMAPTKDM4E
SCHEMBL7472235 0.86 NPSR1 (0.36) NPSR1GAALMNAMAPTTP53
SCHEMBL7461629 0.85 NPSR1 (0.43) NPSR1GAALMNAMAPTTP53
SCHEMBL7473127 0.84 NPSR1 (0.40) NPSR1GAALMNAMAPTTP53
SCHEMBL7468569 0.84 FLT1 (0.35) NPSR1LMNAMAPTTP53ALDH1A1
Water SCHEMBL8742816 0.83 NPSR1 (0.39) NPSR1GAALMNAMAPTTP53
Water SCHEMBL8742815 0.83 NPSR1 (0.39) NPSR1GAALMNAMAPTTP53
SCHEMBL7472220 0.83 NPSR1 (0.40) NPSR1GAALMNAMAPTTP53

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 3 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-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