SCHEMBL7474053

SCHEMBL7474053

CC(C)(C)OC(=O)NCCCCCNC1(c2ccccc2Cl)C(=O)Nc2ccc(Cl)cc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.44
IDO1 P14902 4/20 0.41
TDP1 Q9NUW8 2/20 0.39
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ADCY8 P40145 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
SCHEMBL7473949 0.99 DRD2 (0.43) DRD2IDO1TDP1BRD4KDM4E
SCHEMBL7467311 0.91 IDO1 (0.44) DRD2IDO1ALDH1A1HPGDKDM4E
SCHEMBL7475642 0.82 PGR (0.41) IDO1KMT2AADCY8
SCHEMBL7468067 0.80 IDO1 (0.39) IDO1HPGDMAPK1KDM4EMAPT
SCHEMBL7478490 0.80 AKR1C3 (0.39) IDO1TDP1ALDH1A1LMNATSHR
SCHEMBL7468999 0.78 BRD4 (0.44) IDO1BRD4ALDH1A1MAPTKMT2A
SCHEMBL7468365 0.78 IDO1 (0.43) IDO1KMT2AADCY8
SCHEMBL7475677 0.78 IDO1 (0.41) IDO1ADCY8
SCHEMBL7464164 0.78 IDO1 (0.43) IDO1BRD4KMT2AADCY8
SCHEMBL7470494 0.77 GPR119 (0.44) PKMKDM4E

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 4 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-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