SCHEMBL7476150

SCHEMBL7476150

COc1cc(C(=O)NC(C)(C)C)ccc1CN1C(=O)C(N)(c2ccccc2Cl)c2cc(Cl)ccc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.45
MAPT P10636 2/20 0.44
TP53 P04637 2/20 0.44
OXTR P30559 2/20 0.42
AVPR1A P37288 2/20 0.42
CPT1A P50416 6/20 0.42
CPT1B Q92523 6/20 0.42
CPT2 P23786 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
SCN9A Q15858 2/20 0.39
MAPK8 P45983 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL8742795 0.89 PTGDR2 (0.48) PTGDR2MAPTTP53OXTRAVPR1A
SCHEMBL7465042 0.88 PTGDR2 (0.51) PTGDR2MAPTTP53OXTRAVPR1A
SCHEMBL7476645 0.87 MAPT (0.42) PTGDR2MAPTTP53OXTRAVPR1A
SCHEMBL7469133 0.86 HDAC1 (0.49) PTGDR2MAPTTP53SCN9AHDAC8
SCHEMBL7471458 0.85 OXTR (0.42) PTGDR2MAPTTP53OXTRAVPR1A
SCHEMBL7462162 0.84 MAPT (0.39) PTGDR2MAPTTP53OXTRAVPR1A
SCHEMBL7465671 0.82 AVPR1B (0.43) OXTRAVPR1ACPT1ACPT1B
SCHEMBL7468992 0.80 MAPT (0.37) PTGDR2MAPTTP53OXTRAVPR1A
SCHEMBL8589874 0.78 PTGDR2 (0.42) PTGDR2MAPTTP53SMN1; SMN2SCN9A
SCHEMBL7465337 0.77 MAPT (0.39) MAPTTP53SMN1; SMN2SCN9AHDAC1

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-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
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