SCHEMBL7468698

SCHEMBL7468698

O=C1Nc2cc(Cl)c(Cl)cc2C1(Br)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
AKR1B1 P15121 1/20 0.36
CES1 P23141 1/20 0.36
PDE7A Q13946 1/20 0.36
GHSR Q92847 2/20 0.33
PKM P14618 1/20 0.33
CACNA1F O60840 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
SCN1A P35498 1/20 0.33
SCN4A P35499 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
CACNA1D Q01668 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL125776 0.87 GHSR (0.43) HTR6AKR1B1CES1PDE7AGHSR
SCHEMBL4590370 0.84 AKR1B1 (0.36) HTR6LMNAMAPTALDH1A1KDM4E
SCHEMBL7471467 0.83 MAPT (0.50) HTR6LMNAMAPTAKR1B1PDE7A
SCHEMBL7471179 0.81 BRD4 (0.47) HTR6LMNAMAPTALDH1A1KDM4E
SCHEMBL7467988 0.74 MAPT (0.41) HTR6LMNAMAPTALDH1A1CES1
SCHEMBL7468833 0.73 AKR1B1 (0.42) HTR6LMNAMAPTALDH1A1AKR1B1
SCHEMBL5678933 0.73 KMT2A (0.39) HTR6LMNAMAPTAKR1B1GHSR
SCHEMBL4038795 0.69 MMP9 (0.57) LMNAMAPTALDH1A1AKR1B1CACNA1F
SCHEMBL3856630 0.69 HTR6 (0.63) HTR6MAPT
SCHEMBL5345525 0.69 AKR1C3 (0.47) HTR6MAPTAKR1B1PDE7ACYP2C9

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