SCHEMBL7477344

SCHEMBL7477344

COc1cc(C(=O)O)ccc1CN1C(=O)C(NCCCCCNC(=O)OC(C)(C)C)(c2ccccc2Cl)c2cc(Cl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.40
TP53 P04637 4/20 0.39
MAPT P10636 2/20 0.39
CPT2 P23786 2/20 0.38
CPT1A P50416 2/20 0.38
CPT1B Q92523 2/20 0.38
OXTR P30559 2/20 0.38
AVPR1A P37288 2/20 0.38
DRD2 P14416 7/20 0.38
MDM2 Q00987 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
SCN9A Q15858 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
SCHEMBL8742798 0.94 MAPT (0.39) PTGDR2TP53MAPTOXTRAVPR1A
SCHEMBL7468992 0.93 MAPT (0.37) PTGDR2TP53MAPTCPT2CPT1A
SCHEMBL7463489 0.93 OXTR (0.41) PTGDR2TP53MAPTOXTRAVPR1A
Water SCHEMBL8742871 0.92 OXTR (0.40) PTGDR2TP53MAPTOXTRAVPR1A
Water SCHEMBL8742873 0.92 OXTR (0.40) PTGDR2TP53MAPTOXTRAVPR1A
SCHEMBL7476933 0.83 PTGDR2 (0.46) PTGDR2TP53MAPTCPT2CPT1A
SCHEMBL7462162 0.83 MAPT (0.39) PTGDR2TP53MAPTCPT2CPT1A
SCHEMBL7471675 0.81 OXTR (0.43) PTGDR2TP53MAPTCPT2CPT1A
SCHEMBL7474345 0.80 PTGDR2 (0.45) PTGDR2TP53MAPTCPT2CPT1A
Trifluoroacetic Acid SCHEMBL8590013 0.80 OXTR (0.40) 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 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-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