SCHEMBL7478490

SCHEMBL7478490

NCCCCNC1(c2ccccc2Cl)C(=O)Nc2ccc(Cl)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.39
IDO1 P14902 2/20 0.38
HTR7 P34969 6/20 0.38
HTR1A P08908 2/20 0.38
HTR2A P28223 2/20 0.38
HTR6 P50406 2/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
PGR P06401 5/20 0.36
ADCY8 P40145 1/20 0.35
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
MAPK1 P28482 3/20 0.34
TP53 P04637 2/20 0.34
THPO P40225 2/20 0.34

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
SCHEMBL7475642 0.88 PGR (0.41) AKR1C3IDO1HTR7HTR1AHTR2A
SCHEMBL7468365 0.84 IDO1 (0.43) AKR1C3IDO1HTR7HTR1AHTR2A
SCHEMBL7468999 0.84 BRD4 (0.44) AKR1C3IDO1HTR7HTR1AHTR2A
SCHEMBL7468067 0.84 IDO1 (0.39) AKR1C3IDO1HTR7HTR1AHTR2A
SCHEMBL7466391 0.82 IDO1 (0.45) AKR1C3IDO1HTR7HTR1AHTR2A
SCHEMBL7471172 0.81 IDO1 (0.42) IDO1ADCY8MEN1KMT2A
SCHEMBL7464164 0.81 IDO1 (0.43) AKR1C3IDO1HTR7HTR1AHTR2A
SCHEMBL7475677 0.81 IDO1 (0.41) AKR1C3IDO1HTR7HTR1AHTR2A
SCHEMBL7471107 0.81 MEN1 (0.42) AKR1C3IDO1HTR7HTR1AHTR2A
SCHEMBL7473949 0.80 DRD2 (0.43) IDO1ADCY8TDP1KMT2ANPSR1

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