SCHEMBL7468434

SCHEMBL7468434

O=C1Nc2ccc(Cl)cc2C1(Cl)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
CYP2C19 P33261 1/20 0.55
CACNA1B Q00975 1/20 0.55
APBA1 Q02410 1/20 0.55
PGR P06401 7/20 0.53
MGAM O43451 1/20 0.48
HTR1A P08908 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
HTR2A P28223 1/20 0.48
HTR7 P34969 1/20 0.48
HTR6 P50406 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
IDO1 P14902 2/20 0.46

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
SCHEMBL28010767 0.83 ALDH1A1 (0.67) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL2495439 0.81 IDO1 (0.62) PGRMGAMHTR1AGAASI
SCHEMBL1319883 0.78 MDM2 (0.58) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL7465954 0.78 PGR (0.52) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL13735589 0.72 PGR (0.65) PGRPIK3CDMDM2EPHX2
SCHEMBL3964885 0.72 TP53 (0.58) MAPTPGRHTR6IDO1MAOB
SCHEMBL7382836 0.72 LMNA (0.64) MAPTPGRMGAMHTR1AGAA
SCHEMBL3972727 0.71 MDM2 (0.57) PGRMAOBMDM2
SCHEMBL7468658 0.71 PDE7A (0.45) MAPTCYP2C9PGRMGAMHTR1A
SCHEMBL4588894 0.71 MAOB (0.48) PGRMGAMHTR1AGAASI

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