SCHEMBL7475987

SCHEMBL7475987

CCN(CC)C(=O)Nc1ccc(S(=O)(=O)N2C(=O)C(N[C@H](CCCCN)C(=O)OC)(c3ccccc3Cl)c3cc(Cl)ccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 1/20 0.34
GHSR Q92847 1/20 0.34
AVPR1B P47901 5/20 0.32
AVPR1A P37288 4/20 0.32
MAPT P10636 3/20 0.32
OXTR P30559 3/20 0.32
AVPR2 P30518 2/20 0.32
GPR65 Q8IYL9 1/20 0.32
LMNA P02545 1/20 0.32
SSTR3 P32745 1/20 0.31
PRNP P04156 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
NAMPT P43490 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL7470889 1.00 NPSR1 (0.35) NPSR1GAAGHSRAVPR1BAVPR1A
Trifluoroacetic Acid SCHEMBL8742783 0.96 TDP1 (0.36) NPSR1GAAGHSRAVPR1BSSTR3
Trifluoroacetic Acid SCHEMBL8742823 0.96 TDP1 (0.36) NPSR1GAAGHSRAVPR1BSSTR3
SCHEMBL7468900 0.89 MAPT (0.37) NPSR1GAAMAPTCA1CA2
SCHEMBL7463704 0.89 MAPT (0.37) NPSR1GAAMAPTCA1CA2
SCHEMBL7464677 0.88 MMP2 (0.41) CA1CA2
SCHEMBL7467700 0.88 MMP2 (0.41) CA1CA2
SCHEMBL8593351 0.88 NPSR1 (0.39) NPSR1GAAAVPR1BAVPR1AMAPT
SCHEMBL8593348 0.88 NPSR1 (0.39) NPSR1GAAAVPR1BAVPR1AMAPT
SCHEMBL7477246 0.86 NPSR1 (0.39) NPSR1GAAAVPR1BAVPR1AMAPT

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