SCHEMBL7472572

SCHEMBL7472572

O=C1Nc2ccc(Cl)cc2C1(NCCN1CCNCC1)c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 16/20 0.43
AKR1C3 P42330 1/20 0.43
HTR1A P08908 6/20 0.41
HTR2A P28223 6/20 0.41
HTR6 P50406 6/20 0.41
PKM P14618 1/20 0.39
GHSR Q92847 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL7472456 0.91 HTR7 (0.43) HTR7AKR1C3HTR1AHTR2AHTR6
SCHEMBL7466627 0.89 AKR1C3 (0.47) HTR7AKR1C3HTR1AHTR2AHTR6
SCHEMBL7477046 0.83 AKR1C3 (0.45) HTR7AKR1C3HTR1AHTR2AHTR6
SCHEMBL7474029 0.81 ENPP2 (0.42) HTR7HTR1AHTR2AHTR6
SCHEMBL7468365 0.80 IDO1 (0.43) HTR7AKR1C3HTR1AHTR2AHTR6
SCHEMBL7468999 0.80 BRD4 (0.44) HTR7AKR1C3HTR1AHTR2AHTR6
SCHEMBL7464164 0.79 IDO1 (0.43) HTR7AKR1C3HTR1AHTR2AHTR6
SCHEMBL7466391 0.77 IDO1 (0.45) HTR7AKR1C3HTR1AHTR2AHTR6
SCHEMBL7478490 0.77 AKR1C3 (0.39) HTR7AKR1C3HTR1AHTR2AHTR6
SCHEMBL7475642 0.77 PGR (0.41) HTR7AKR1C3HTR1AHTR2AHTR6

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