SCHEMBL2937137

SCHEMBL2937137

Cc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1CNC(=O)ON1CC(=O)N(CCO)c2ccc(F)c(F)c21

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 9/20 0.51
OXTR P30559 1/20 0.49
AVPR1A P37288 8/20 0.43

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
SCHEMBL2935190 0.93 AVPR2 (0.52) AVPR2OXTRAVPR1A
SCHEMBL1346512 0.90 AVPR2 (0.56) AVPR2OXTRAVPR1A
SCHEMBL2938034 0.88 AVPR2 (0.51) AVPR2OXTRAVPR1A
SCHEMBL2939621 0.86 AVPR2 (0.56) AVPR2
SCHEMBL2934738 0.86 AVPR2 (0.54) AVPR2OXTRAVPR1A
SCHEMBL2939638 0.85 AVPR2 (0.51) AVPR2OXTRAVPR1A
SCHEMBL1346201 0.85 AVPR2 (0.57) AVPR2OXTRAVPR1A
SCHEMBL2937308 0.80 AVPR2 (0.56) AVPR2OXTRAVPR1A
SCHEMBL2935640 0.79 AVPR2 (0.61) AVPR2
SCHEMBL1345768 0.79 AVPR2 (0.55) AVPR2OXTRAVPR1A

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-1778677-B1 HETEROCYCLIC CONDENSED COMPOUNDS USEFUL AS ANTIDIURETIC AGENTS VANTIA LTD (GB) 2010-02-03 EP claimed