SCHEMBL6993548

SCHEMBL6993548

Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3ccc(OC(=O)O)n3Cc3ccccc32)c(Cl)c1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 19/20 0.79
AVPR1A P37288 14/20 0.71
OXTR P30559 3/20 0.71

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
SCHEMBL6997117 0.88 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL6993636 0.85 AVPR2 (0.84) AVPR2AVPR1AOXTR
SCHEMBL6993128 0.85 AVPR2 (0.84) AVPR2AVPR1AOXTR
Iodide SCHEMBL7141029 0.84 AVPR2 (0.83) AVPR2AVPR1AOXTR
SCHEMBL7339773 0.84 AVPR2 (0.75) AVPR2AVPR1AOXTR
Lixivaptan SCHEMBL29387791 0.83 AVPR2 (1.00) AVPR2AVPR1AOXTR
Lixivaptan SCHEMBL29373157 0.83 AVPR2 (1.00) AVPR2AVPR1AOXTR
Lixivaptan SCHEMBL29377065 0.83 AVPR2 (1.00) AVPR2AVPR1AOXTR
Lixivaptan SCHEMBL1649340 0.83 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL7342127 0.82 AVPR2 (0.77) AVPR2AVPR1AOXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021444-B1 3-CARBOXAMIDE DERIVATIVES OF 5H-PYRROLO[2,1-c][1,4]-BENZODIAZEPINES WYETH CORP (US) 2003-09-24 EP claimed