SCHEMBL7463750

SCHEMBL7463750

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HTT P42858 1/20 0.45
TP53 P04637 7/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 4/20 0.39
SCN9A Q15858 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7470885 0.86 HDAC1 (0.46) HDAC1HDAC6TP53ALDH1A1MAPT
SCHEMBL7460259 0.85 SCN9A (0.46) HDAC1HDAC6TP53ALDH1A1MAPT
SCHEMBL7463753 0.81 OXTR (0.43) HDAC1HDAC6HTTTP53ALDH1A1
SCHEMBL7462560 0.80 MAPT (0.41) HDAC1HDAC6TP53ALDH1A1MAPT
SCHEMBL7473484 0.80 SCN9A (0.43) TP53ALDH1A1MAPTSCN9APTGDR2
SCHEMBL7470158 0.78 GFER (0.48) HDAC1HDAC6TP53ALDH1A1MAPT
SCHEMBL7471478 0.77 PTGDR2 (0.43) ALDH1A1MAPTSCN9APTGDR2
SCHEMBL7469133 0.72 HDAC1 (0.49) HDAC1HDAC6TP53ALDH1A1MAPT
SCHEMBL7466211 0.72 HDAC1 (0.45) HDAC1HDAC6TP53ALDH1A1MAPT
SCHEMBL7472348 0.72 TP53 (0.44) HDAC1HDAC6TP53ALDH1A1MAPT

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