SCHEMBL7476933

SCHEMBL7476933

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.46
TP53 P04637 3/20 0.45
MAPT P10636 2/20 0.45
CPT2 P23786 4/20 0.44
CPT1A P50416 4/20 0.44
CPT1B Q92523 4/20 0.44
OXTR P30559 2/20 0.43
AVPR1A P37288 2/20 0.43
PLA2G4A P47712 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LTB4R Q15722 1/20 0.41
SCN9A Q15858 2/20 0.40
PRKG1 Q13976 1/20 0.38
TTR P02766 1/20 0.38
MDM2 Q00987 1/20 0.38
XIAP P98170 1/20 0.38

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
SCHEMBL8742799 0.93 MAPT (0.45) PTGDR2TP53MAPTCPT2CPT1A
SCHEMBL7474345 0.92 PTGDR2 (0.45) PTGDR2TP53MAPTCPT2CPT1A
SCHEMBL7476645 0.90 MAPT (0.42) PTGDR2TP53MAPTCPT2CPT1A
SCHEMBL8742767 0.85 TP53 (0.44) PTGDR2TP53MAPTCPT2CPT1A
SCHEMBL7465042 0.84 PTGDR2 (0.51) PTGDR2TP53MAPTCPT2CPT1A
SCHEMBL7477344 0.83 PTGDR2 (0.40) PTGDR2TP53MAPTCPT2CPT1A
SCHEMBL7471458 0.82 OXTR (0.42) PTGDR2TP53MAPTCPT2CPT1A
SCHEMBL8742795 0.79 PTGDR2 (0.48) PTGDR2TP53MAPTCPT2CPT1A
SCHEMBL5435083 0.78 OXTR (0.59) PTGDR2TP53MAPTCPT2CPT1A
SCHEMBL6584840 0.78 OXTR (0.48) PTGDR2TP53MAPTCPT2CPT1A

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 3 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-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