SCHEMBL3713304

SCHEMBL3713304

CCOc1ncccc1C1(OC(=O)ON2CCN(C3CCN(C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccccc2)c2cc(F)c(F)cc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.34
KDM4E B2RXH2 5/20 0.32
RXFP1 Q9HBX9 1/20 0.32
AVPR1B P47901 4/20 0.31
ALDH1A1 P00352 4/20 0.31
SSTR4 P31391 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
HTR6 P50406 1/20 0.31
BRD4 O60885 1/20 0.31
MAPK7 Q13164 1/20 0.31
MEN1 O00255 1/20 0.31
USP5 P45974 1/20 0.30

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
SCHEMBL3715687 0.95 KMT2A (0.36) KMT2AGAAKDM4ERXFP1AVPR1B
SCHEMBL3719353 0.95 KMT2A (0.36) KMT2AGAAKDM4ERXFP1AVPR1B
SCHEMBL3721942 0.94 AVPR1B (0.39) KDM4EAVPR1BALDH1A1
SCHEMBL15157792 0.93 AVPR1B (0.34) KMT2AGAAKDM4ERXFP1AVPR1B
SCHEMBL3715725 0.92 AVPR1B (0.37) KDM4EAVPR1BALDH1A1SSTR4
SCHEMBL1588843 0.91 KMT2A (0.41) KMT2AGAAKDM4ERXFP1ALDH1A1
SCHEMBL3715964 0.89 AVPR1B (0.40) KDM4EAVPR1BALDH1A1
SCHEMBL15157790 0.89 AVPR1B (0.40) KDM4EAVPR1BALDH1A1
SCHEMBL3720379 0.88 AVPR1B (0.45) GAAAVPR1B
SCHEMBL3803453 0.87 AVPR1B (0.41) KMT2AGAAKDM4EAVPR1BALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231644-B1 5,6-Disubstituted oxindole derivatives and their use in the manufacture of a medicament for the treatment of vasopressin-dependent diseases ABBVIE DEUTSCHLAND (DE) 2014-01-15 EP disclosed
EP-2623504-A1 5,6-Disubstituted oxindole derivatives and their use in the manufacture of a medicament for the treatment of vasopressin-dependent diseases Abbott GmbH & Co. KG (DE) 2013-08-07 EP disclosed
EP-2231644-A2 5,6-DISUBSTITUTED OXINDOLE-DERIVATIVES AND USE THEREOF FOR TREATING VASOPRESSINE-DEPENDENT DISEASES Abbott GmbH & Co. KG (DE) 2010-09-29 EP disclosed
WO-2009071690-A2 5,6-DISUBSTITUTED OXINDOLE-DERIVATIVES AND USE THEREOF FOR TREATING VASOPRESSINE-DEPENDENT DISEASES ABBOTT GMBH & CO. KG (DE) 2009-06-11 WO disclosed