SCHEMBL7466394

SCHEMBL7466394

NC1(c2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.41
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
BRDT Q58F21 1/20 0.39
HTR6 P50406 4/20 0.38
PDE7A Q13946 1/20 0.38
CES1 P23141 1/20 0.38
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
AR P10275 1/20 0.33
GALR3 O60755 1/20 0.33
CACNA1F O60840 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
SCN1A P35498 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
SCHEMBL7467988 0.77 MAPT (0.41) MAPTPKMLMNAHTR6PDE7A
SCHEMBL7471179 0.74 BRD4 (0.47) MAPTPKMLMNABRD4BRD2
SCHEMBL7467265 0.73 BRD4 (0.52) MAPTLMNABRD4BRD2BRD3
SCHEMBL7340621 0.69 MMP9 (0.57) MAPTLMNABACE1BACE2CACNA1F
SCHEMBL24690660 0.68 PGR (0.45) HTR6PDE7ACES1HRH1
SCHEMBL8592825 0.68 PDK2 (0.37) MAPTBRD4BRD2BRD3BRDT
SCHEMBL4589675 0.67 PDE7A (0.37) MAPTLMNAHTR6PDE7ACES1
SCHEMBL5820679 0.66 HTR6 (0.44) HTR6ALDH1A1HTR2ADRD1
SCHEMBL20783508 0.66 DRD2 (0.49) HTR6ALDH1A1CYP2C9HTR2A
SCHEMBL7470907 0.62 AKR1C3 (0.47) MAPTBRD4BRD2BRD3BRDT

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