SCHEMBL7462162

SCHEMBL7462162

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
TP53 P04637 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
OXTR P30559 2/20 0.38
AVPR1A P37288 2/20 0.38
CPT1A P50416 6/20 0.37
CPT1B Q92523 6/20 0.37
CPT2 P23786 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
SCN9A Q15858 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
MAPK8 P45983 1/20 0.34
MDM4 O15151 1/20 0.33
MDM2 Q00987 1/20 0.33

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
SCHEMBL7468992 0.91 MAPT (0.37) MAPTTP53PTGDR2OXTRAVPR1A
SCHEMBL7471675 0.89 OXTR (0.43) MAPTTP53PTGDR2OXTRAVPR1A
SCHEMBL7476645 0.86 MAPT (0.42) MAPTTP53PTGDR2OXTRAVPR1A
Trifluoroacetic Acid SCHEMBL8590013 0.85 OXTR (0.40) MAPTTP53PTGDR2OXTRAVPR1A
SCHEMBL7471458 0.85 OXTR (0.42) MAPTTP53PTGDR2OXTRAVPR1A
SCHEMBL7476150 0.84 PTGDR2 (0.45) MAPTTP53PTGDR2OXTRAVPR1A
SCHEMBL7477344 0.83 PTGDR2 (0.40) MAPTTP53PTGDR2OXTRAVPR1A
SCHEMBL8742798 0.83 MAPT (0.39) MAPTTP53PTGDR2OXTRAVPR1A
SCHEMBL7463489 0.81 OXTR (0.41) MAPTTP53PTGDR2OXTRAVPR1A
SCHEMBL8592289 0.81 CHRM2 (0.38) 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 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