SCHEMBL7471675

SCHEMBL7471675

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.43
AVPR1A P37288 2/20 0.43
MAPT P10636 2/20 0.40
TP53 P04637 2/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CPT1A P50416 3/20 0.35
CPT1B Q92523 3/20 0.35
CPT2 P23786 2/20 0.35
SCN9A Q15858 2/20 0.35
SLC6A3 Q01959 2/20 0.35
TOP2A P11388 1/20 0.33
KCNH2 Q12809 1/20 0.33
XIAP P98170 1/20 0.33
CHRM2 P08172 1/20 0.32
C5AR1 P21730 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL8590013 0.95 OXTR (0.40) OXTRAVPR1AMAPTTP53PTGDR2
SCHEMBL7463489 0.89 OXTR (0.41) OXTRAVPR1AMAPTTP53PTGDR2
SCHEMBL7462162 0.89 MAPT (0.39) OXTRAVPR1AMAPTTP53PTGDR2
Water SCHEMBL8742871 0.89 OXTR (0.40) OXTRAVPR1AMAPTTP53PTGDR2
Water SCHEMBL8742873 0.89 OXTR (0.40) OXTRAVPR1AMAPTTP53PTGDR2
SCHEMBL8742798 0.81 MAPT (0.39) OXTRAVPR1AMAPTTP53PTGDR2
SCHEMBL7477344 0.81 PTGDR2 (0.40) OXTRAVPR1AMAPTTP53PTGDR2
SCHEMBL7468992 0.80 MAPT (0.37) OXTRAVPR1AMAPTTP53PTGDR2
SCHEMBL8742799 0.77 MAPT (0.45) OXTRAVPR1AMAPTTP53PTGDR2
SCHEMBL7476933 0.77 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 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
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