SCHEMBL3716573

SCHEMBL3716573

CCOc1ncccc1C1(OC(=O)ON2CCN(C3CCN(C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccccc2OC)c2cc(F)c(Cl)cc21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 14/20 0.37
OXTR P30559 2/20 0.37
AVPR1A P37288 2/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
AVPR2 P30518 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 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
SCHEMBL3714952 0.98 AVPR1B (0.37) AVPR1BOXTRAVPR1AKDM4EALDH1A1
SCHEMBL3715725 0.95 AVPR1B (0.37) AVPR1BOXTRAVPR1AKDM4EALDH1A1
SCHEMBL3715576 0.94 AVPR1B (0.44) AVPR1BOXTRAVPR1AAVPR2
SCHEMBL3715687 0.92 KMT2A (0.36) AVPR1BOXTRAVPR1AKDM4EALDH1A1
SCHEMBL3711797 0.92 AVPR1B (0.44) AVPR1BOXTRAVPR1AAVPR2
SCHEMBL15279958 0.92 ALDH1A1 (0.37) AVPR1BOXTRAVPR1AKDM4EALDH1A1
SCHEMBL15157790 0.91 AVPR1B (0.40) AVPR1BOXTRAVPR1AKDM4EALDH1A1
SCHEMBL15157816 0.91 AVPR1B (0.40) AVPR1BOXTRAVPR1AAVPR2
SCHEMBL3719353 0.90 KMT2A (0.36) AVPR1BOXTRAVPR1AKDM4EALDH1A1
SCHEMBL3720379 0.89 AVPR1B (0.45) AVPR1BOXTRAVPR1AAVPR2GAA

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