SCHEMBL7472764

SCHEMBL7472764

CCN(CC)CCC(=O)NC1(c2ccccc2Cl)C(=O)N(S(=O)(=O)c2ccc(NC(=O)N(CC)CC)cc2)c2ccc(Cl)c(C)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 2/20 0.36
HTR6 P50406 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
NAMPT P43490 2/20 0.32
ATM Q13315 1/20 0.32
NR1I3 Q14994 1/20 0.32
TERT O14746 5/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
DNMT1 P26358 1/20 0.31
RAD52 P43351 1/20 0.31

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
SCHEMBL7476931 0.87 NPSR1 (0.36) NPSR1GAAHTR6MAPTLMNA
SCHEMBL7466648 0.78 NPSR1 (0.45) NPSR1GAAMAPTLMNANAMPT
SCHEMBL7461629 0.75 NPSR1 (0.43) NPSR1GAAMAPTLMNANAMPT
SCHEMBL7475898 0.74 TRPV4 (0.38) NPSR1GAAMAPTLMNANAMPT
SCHEMBL7471625 0.74 NPSR1 (0.41) NPSR1GAAMAPTLMNANAMPT
SCHEMBL7471873 0.73 KMT2A (0.42) NPSR1GAAMAPTLMNAKDM4E
SCHEMBL8742735 0.73 NPSR1 (0.40) NPSR1GAAMAPTLMNANAMPT
SCHEMBL7471149 0.73 NPSR1 (0.39) NPSR1GAAMAPTLMNANAMPT
SCHEMBL7472220 0.73 NPSR1 (0.40) NPSR1GAAMAPTLMNAMEN1
SCHEMBL7473127 0.72 NPSR1 (0.40) NPSR1GAAMAPTLMNANAMPT

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