SCHEMBL6203674

SCHEMBL6203674

COC(=O)[C@@H]1CC(OC)CN1C(=O)NCc1ccc(C(=O)N2CCCCc3sccc32)cc1Cl

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 20/20 0.82
OXTR P30559 9/20 0.82

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
SCHEMBL6202959 1.00 AVPR2 (0.82) AVPR2OXTR
SCHEMBL6203139 0.95 AVPR2 (0.81) AVPR2OXTR
SCHEMBL6202640 0.95 AVPR2 (0.81) AVPR2OXTR
SCHEMBL4198538 0.93 AVPR2 (0.81) AVPR2OXTR
SCHEMBL1660615 0.90 AVPR2 (1.00) AVPR2OXTR
SCHEMBL6219788 0.90 AVPR2 (1.00) AVPR2OXTR
SCHEMBL5430909 0.85 AVPR2 (0.79) AVPR2OXTR
SCHEMBL6221670 0.85 AVPR2 (0.79) AVPR2OXTR
SCHEMBL6203143 0.80 AVPR2 (0.59) AVPR2OXTR
SCHEMBL4198269 0.80 AVPR2 (0.85) AVPR2OXTR

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-1399436-B1 OXYTOCIN AGONISTS FERRING BV (NL) 2005-03-16 EP disclosed