SCHEMBL7463489

SCHEMBL7463489

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.41
AVPR1A P37288 2/20 0.41
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
DRD2 P14416 8/20 0.37
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
SCN9A Q15858 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
IDO1 P14902 1/20 0.33
ADORA3 P0DMS8 2/20 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
Water SCHEMBL8742873 0.99 OXTR (0.40) OXTRAVPR1AMAPTTP53PTGDR2
Water SCHEMBL8742871 0.99 OXTR (0.40) OXTRAVPR1AMAPTTP53PTGDR2
SCHEMBL7477344 0.93 PTGDR2 (0.40) OXTRAVPR1AMAPTTP53PTGDR2
SCHEMBL8742798 0.93 MAPT (0.39) OXTRAVPR1AMAPTTP53PTGDR2
SCHEMBL7468992 0.91 MAPT (0.37) OXTRAVPR1AMAPTTP53PTGDR2
SCHEMBL7471675 0.89 OXTR (0.43) OXTRAVPR1AMAPTTP53PTGDR2
Trifluoroacetic Acid SCHEMBL8590013 0.86 OXTR (0.40) OXTRAVPR1AMAPTTP53PTGDR2
SCHEMBL7462162 0.81 MAPT (0.39) OXTRAVPR1AMAPTTP53PTGDR2
SCHEMBL8742799 0.76 MAPT (0.45) OXTRAVPR1AMAPTTP53PTGDR2
SCHEMBL7476933 0.76 PTGDR2 (0.46) OXTRAVPR1AMAPTTP53PTGDR2

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 2 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
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