SCHEMBL7476645

SCHEMBL7476645

COC(=O)NC1(c2ccccc2Cl)C(=O)N(Cc2ccc(C(=O)NC(C)(C)C)cc2OC)c2ccc(Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
TP53 P04637 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
OXTR P30559 2/20 0.41
AVPR1A P37288 2/20 0.41
CPT1A P50416 7/20 0.40
CPT1B Q92523 7/20 0.40
CPT2 P23786 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
SCN9A Q15858 2/20 0.37
MAPK8 P45983 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7471458 0.92 OXTR (0.42) MAPTTP53PTGDR2OXTRAVPR1A
SCHEMBL8742799 0.90 MAPT (0.45) MAPTTP53PTGDR2OXTRAVPR1A
SCHEMBL7476933 0.90 PTGDR2 (0.46) MAPTTP53PTGDR2OXTRAVPR1A
SCHEMBL7476150 0.87 PTGDR2 (0.45) MAPTTP53PTGDR2OXTRAVPR1A
SCHEMBL7462162 0.86 MAPT (0.39) MAPTTP53PTGDR2OXTRAVPR1A
SCHEMBL7468992 0.85 MAPT (0.37) MAPTTP53PTGDR2OXTRAVPR1A
SCHEMBL8742767 0.82 TP53 (0.44) MAPTTP53PTGDR2OXTRAVPR1A
SCHEMBL7474345 0.82 PTGDR2 (0.45) MAPTTP53PTGDR2OXTRAVPR1A
SCHEMBL9212102 0.78 ROCK2 (0.36) HDAC8ANO1
SCHEMBL7466211 0.77 HDAC1 (0.45) MAPTTP53PTGDR2SMN1; SMN2SCN9A

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