SCHEMBL3971584

SCHEMBL3971584

C=Cc1ccc(C2(C(=O)N3CCC4(C3)OCc3cnccc34)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.52
CYP2D6 P10635 1/20 0.41
AVPR1A P37288 1/20 0.35

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
SCHEMBL3970017 0.87 HSD11B1 (0.68) HSD11B1CYP2D6AVPR1A
SCHEMBL349086 0.82 HSD11B1 (0.78) HSD11B1CYP2D6
SCHEMBL4407669 0.79 HSD11B1 (0.65) HSD11B1CYP2D6AVPR1A
SCHEMBL3972921 0.78 HSD11B1 (0.52) HSD11B1CYP2D6AVPR1A
SCHEMBL3972505 0.78 HSD11B1 (0.48) HSD11B1CYP2D6AVPR1A
SCHEMBL5643156 0.78 AVPR1A (0.42) HSD11B1AVPR1A
SCHEMBL3971621 0.77 HSD11B1 (0.69) HSD11B1CYP2D6
SCHEMBL350546 0.72 HSD11B1 (0.78) HSD11B1CYP2D6
SCHEMBL350443 0.72 HSD11B1 (0.78) HSD11B1CYP2D6
SCHEMBL350444 0.72 HSD11B1 (0.78) HSD11B1CYP2D6

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-1756063-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-03-25 EP claimed
EP-1756063-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-02-28 EP claimed
WO-2005110992-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2005-11-24 WO claimed