SCHEMBL4759147

SCHEMBL4759147

CC(C)(Sc1ccc(Cl)cc1)C(=O)N1CC[C@@]2(C1)OCc1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 15/20 0.46
OXTR P30559 1/20 0.46
HRH3 Q9Y5N1 1/20 0.42
AVPR2 P30518 1/20 0.41

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
SCHEMBL4759150 1.00 AVPR1A (0.46) AVPR1AOXTRHRH3AVPR2
SCHEMBL4759117 0.82 HSD11B1 (0.61) AVPR1AHRH3
SCHEMBL4759115 0.82 HSD11B1 (0.61) AVPR1AHRH3
SCHEMBL3682438 0.80 AVPR1A (0.48) AVPR1AOXTRHRH3AVPR2
SCHEMBL349521 0.76 HSD11B1 (0.67) AVPR1AOXTR
SCHEMBL18701840 0.74 AVPR1A (0.58) AVPR1AOXTRHRH3AVPR2
SCHEMBL3232343 0.74 AVPR1A (0.57) AVPR1AHRH3AVPR2
SCHEMBL3231283 0.74 AVPR1A (0.54) AVPR1AOXTRHRH3AVPR2
SCHEMBL5531225 0.73 AVPR1A (0.53) AVPR1AOXTRHRH3AVPR2
SCHEMBL4757502 0.73 HSD11B1 (0.52) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758582-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP claimed
EP-1758582-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-03-07 EP claimed
WO-2006002349-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-01-05 WO claimed