SCHEMBL2560098

SCHEMBL2560098

Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 20/20 1.00

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
Fedovapagon SCHEMBL2547119 0.91 AVPR2 (1.00) AVPR2
Dimethylamine SCHEMBL5264112 0.86 AVPR2 (0.82) AVPR2
SCHEMBL5234495 0.85 AVPR2 (0.78) AVPR2
SCHEMBL6625761 0.84 AVPR2 (0.79) AVPR2
SCHEMBL16551046 0.83 AVPR2 (0.85) AVPR2
Dimethylamine SCHEMBL5260229 0.82 AVPR2 (0.85) AVPR2
SCHEMBL5232854 0.81 AVPR2 (0.73) AVPR2
SCHEMBL4195593 0.81 AVPR2 (1.00) AVPR2
SCHEMBL5232864 0.81 AVPR2 (1.00) AVPR2
SCHEMBL6625567 0.81 AVPR2 (0.77) AVPR2

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-2552910-A1 NEW POLYMORPH Vantia Limited (GB) 2013-02-06 EP disclosed
WO-2011121308-A1 NEW POLYMORPH VANTIA LIMITED (GB) 2011-10-06 WO disclosed
EP-1248784-A1 CONDENSED AZEPINES AS VASOPRESSIN AGONISTS Ferring BV (NL) 2002-10-16 EP disclosed
WO-2001049682-A1 CONDENSED AZEPINES AS VASOPRESSIN AGONISTS FERRING BV (NL) 2001-07-12 WO disclosed