SCHEMBL7467988

SCHEMBL7467988

O=C1Nc2ccc(Cl)c(Cl)c2C1(Br)c1ccccc1

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
HTR6 P50406 5/20 0.38
PDE7A Q13946 1/20 0.38
CES1 P23141 1/20 0.38
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
SCN4A P35499 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
CACNA1D Q01668 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 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
SCHEMBL4589675 0.83 PDE7A (0.37) MAPTLMNAHTR6PDE7ACES1
SCHEMBL7466394 0.77 MAPT (0.41) MAPTPKMLMNAHTR6PDE7A
SCHEMBL7468698 0.74 HTR6 (0.41) MAPTPKMLMNAHTR6PDE7A
SCHEMBL7471467 0.73 MAPT (0.50) MAPTLMNAHTR6PDE7AHTR2A
SCHEMBL4038795 0.69 MMP9 (0.57) MAPTLMNACACNA1FALDH1A1CYP2C9
SCHEMBL24690660 0.68 PGR (0.45) HTR6PDE7ACES1HRH1PGR
SCHEMBL7476921 0.68 PDK2 (0.37) MAPTLMNACES1ALDH1A1CACNA1C
SCHEMBL3459900 0.67 HTR6 (0.55) MAPTHTR6ALDH1A1DRD1
SCHEMBL5820679 0.66 HTR6 (0.44) HTR6ALDH1A1HTR2APGRDRD1
SCHEMBL4038790 0.63 AKR1B1 (0.36) MAPTLMNACACNA1FALDH1A1CYP2C9

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