SCHEMBL7477046

SCHEMBL7477046

O=C1Nc2ccc(Cl)cc2C1(NCCCN1CCOCC1)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.45
HTR7 P34969 11/20 0.45
ITGB2 P05107 1/20 0.45
ICAM1 P05362 1/20 0.45
ITGAL P20701 1/20 0.45
KMT2A Q03164 1/20 0.44
HTR1A P08908 3/20 0.43
HTR2A P28223 3/20 0.43
HTR6 P50406 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7466627 0.94 AKR1C3 (0.47) AKR1C3HTR7KMT2AHTR1AHTR2A
SCHEMBL7472456 0.84 HTR7 (0.43) AKR1C3HTR7HTR1AHTR2AHTR6
SCHEMBL7472572 0.83 HTR7 (0.43) AKR1C3HTR7HTR1AHTR2AHTR6
SCHEMBL7475642 0.79 PGR (0.41) AKR1C3HTR7KMT2AHTR1AHTR2A
SCHEMBL7478490 0.79 AKR1C3 (0.39) AKR1C3HTR7KMT2AHTR1AHTR2A
SCHEMBL7468365 0.78 IDO1 (0.43) AKR1C3HTR7KMT2AHTR1AHTR2A
SCHEMBL7468999 0.78 BRD4 (0.44) AKR1C3HTR7KMT2AHTR1AHTR2A
SCHEMBL7468067 0.77 IDO1 (0.39) AKR1C3HTR7KMT2AHTR1AHTR2A
SCHEMBL7466391 0.75 IDO1 (0.45) AKR1C3HTR7KMT2AHTR1AHTR2A
SCHEMBL7471172 0.75 IDO1 (0.42) KMT2A

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