SCHEMBL7468992

SCHEMBL7468992

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
OXTR P30559 2/20 0.37
AVPR1A P37288 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
DRD2 P14416 8/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
CPT2 P23786 2/20 0.36
CPT1A P50416 2/20 0.36
CPT1B Q92523 2/20 0.36
BRD4 O60885 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
STING1 Q86WV6 1/20 0.34

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 0.93 MAPT (0.39) MAPTTP53OXTRAVPR1APTGDR2
SCHEMBL7477344 0.93 PTGDR2 (0.40) MAPTTP53OXTRAVPR1APTGDR2
SCHEMBL7463489 0.91 OXTR (0.41) MAPTTP53OXTRAVPR1APTGDR2
SCHEMBL7462162 0.91 MAPT (0.39) MAPTTP53OXTRAVPR1APTGDR2
Water SCHEMBL8742871 0.90 OXTR (0.40) MAPTTP53OXTRAVPR1APTGDR2
Water SCHEMBL8742873 0.90 OXTR (0.40) MAPTTP53OXTRAVPR1APTGDR2
SCHEMBL7476645 0.85 MAPT (0.42) MAPTTP53OXTRAVPR1APTGDR2
SCHEMBL7471458 0.83 OXTR (0.42) MAPTTP53OXTRAVPR1APTGDR2
SCHEMBL7476150 0.80 PTGDR2 (0.45) MAPTTP53OXTRAVPR1APTGDR2
SCHEMBL7471675 0.80 OXTR (0.43) MAPTTP53OXTRAVPR1APTGDR2

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