SCHEMBL7469889

SCHEMBL7469889

CNC1(C2CCCCC2)C(=O)Nc2ccc(Cl)cc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
BRD2 P25440 1/20 0.45
BRD3 Q15059 1/20 0.45
BRDT Q58F21 1/20 0.45
PDE7A Q13946 1/20 0.43
IDO1 P14902 2/20 0.42
CYP2C9 P11712 2/20 0.40
PGR P06401 1/20 0.39
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
AKR1B1 P15121 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
SCHEMBL7348224 0.80 MEN1 (0.48) BRD4MEN1KMT2APDE7AIDO1
SCHEMBL7472923 0.78 PDE7A (0.47) BRD4MEN1KMT2APDE7AIDO1
SCHEMBL7472300 0.77 BRD4 (0.56) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL7465910 0.76 MEN1 (0.43) MEN1KMT2APDE7AIDO1CYP2C9
SCHEMBL3967711 0.71 BRD4 (0.47) BRD4MEN1KMT2APDE7AIDO1
SCHEMBL7466189 0.71 IDO1 (0.58) BRD4MEN1KMT2APDE7AIDO1
SCHEMBL7468658 0.70 PDE7A (0.45) MEN1KMT2APDE7AIDO1CYP2C9
SCHEMBL3966441 0.70 BRD4 (0.46) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL5482190 0.68 PGR (0.72) PDE7APGR
SCHEMBL9538752 0.68 AKR1B1 (0.51) MEN1KMT2APDE7AIDO1PGR

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