SCHEMBL7469133

SCHEMBL7469133

CC(C)(C)NC(=O)c1ccc(CN2C(=O)C(N)(c3ccccc3Cl)c3cc(Cl)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.49
HDAC6 Q9UBN7 4/20 0.49
ALDH1A1 P00352 1/20 0.45
HDAC8 Q9BY41 2/20 0.42
PTGDR2 Q9Y5Y4 6/20 0.41
SCN9A Q15858 2/20 0.41
TP53 P04637 3/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL7465337 0.88 MAPT (0.39) HDAC1HDAC6ALDH1A1SCN9ATP53
Water SCHEMBL8593336 0.87 MAPT (0.39) HDAC1HDAC6ALDH1A1SCN9ATP53
Water SCHEMBL8593338 0.87 MAPT (0.39) HDAC1HDAC6ALDH1A1SCN9ATP53
SCHEMBL7476150 0.86 PTGDR2 (0.45) HDAC1HDAC6HDAC8PTGDR2SCN9A
SCHEMBL7470885 0.86 HDAC1 (0.46) HDAC1HDAC6ALDH1A1HDAC8PTGDR2
SCHEMBL7470580 0.85 PTGDR2 (0.48) HDAC1HDAC6PTGDR2SCN9ATP53
SCHEMBL7466211 0.85 HDAC1 (0.45) HDAC1HDAC6ALDH1A1HDAC8PTGDR2
SCHEMBL7469987 0.78 MAPT (0.36) HDAC1HDAC6ALDH1A1SCN9ATP53
SCHEMBL7477811 0.77 HDAC1 (0.43) HDAC1HDAC6ALDH1A1HDAC8PTGDR2
SCHEMBL7470112 0.77 HDAC1 (0.43) HDAC1HDAC6ALDH1A1HDAC8PTGDR2

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