SCHEMBL3719353

SCHEMBL3719353

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.34
KDM4E B2RXH2 7/20 0.33
ALDH1A1 P00352 6/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
AVPR1B P47901 3/20 0.33
RXFP1 Q9HBX9 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
CCR1 P32246 3/20 0.31
MEN1 O00255 1/20 0.31
OXTR P30559 1/20 0.30
AVPR1A P37288 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 0.97 KMT2A (0.36) KMT2AGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL3713304 0.95 KMT2A (0.36) KMT2AGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL3715964 0.94 AVPR1B (0.40) KDM4EALDH1A1AVPR1BOXTRAVPR1A
SCHEMBL3714952 0.92 AVPR1B (0.37) GAAKDM4EALDH1A1SMN1; SMN2AVPR1B
SCHEMBL15157790 0.91 AVPR1B (0.40) KDM4EALDH1A1AVPR1BOXTRAVPR1A
SCHEMBL15279962 0.91 KMT2A (0.40) KMT2AGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL3716573 0.90 AVPR1B (0.37) GAAKDM4EALDH1A1SMN1; SMN2AVPR1B
SCHEMBL15157792 0.90 AVPR1B (0.34) KMT2AGAAKDM4EAVPR1BRXFP1
SCHEMBL3711797 0.89 AVPR1B (0.44) AVPR1BOXTRAVPR1A
SCHEMBL3721942 0.89 AVPR1B (0.39) KDM4EALDH1A1AVPR1BOXTRAVPR1A

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