SCHEMBL7472360

SCHEMBL7472360

CCN(CC)C(=O)Nc1ccc(S(=O)(=O)N2C(=O)C(NCCOCCN)(c3ccccc3Cl)c3cc(Cl)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 6/20 0.34
LMNA P02545 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
AVPR1B P47901 4/20 0.32
PRNP P04156 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
AVPR1A P37288 3/20 0.31
NAMPT P43490 2/20 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
AVPR2 P30518 1/20 0.31
FFAR4 Q5NUL3 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
Trifluoroacetic Acid SCHEMBL8742977 0.95 NPSR1 (0.36) NPSR1GAAMAPTLMNACA12
SCHEMBL7467560 0.94 NPSR1 (0.38) NPSR1GAAMAPTLMNACA12
SCHEMBL7477246 0.91 NPSR1 (0.39) NPSR1GAAMAPTLMNACA12
SCHEMBL7471274 0.91 NPSR1 (0.38) NPSR1GAAMAPTLMNACA12
SCHEMBL7471625 0.90 NPSR1 (0.41) NPSR1GAAMAPTLMNACA12
SCHEMBL7471149 0.88 NPSR1 (0.39) NPSR1GAAMAPTLMNACA12
SCHEMBL8742735 0.87 NPSR1 (0.40) NPSR1GAAMAPTLMNACA12
SCHEMBL7466648 0.86 NPSR1 (0.45) NPSR1GAAMAPTLMNACA12
Trifluoroacetic Acid SCHEMBL8592809 0.86 NPSR1 (0.36) NPSR1GAAMAPTLMNACA12
SCHEMBL7476887 0.86 NPSR1 (0.39) NPSR1GAAMAPTLMNACA12

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