SCHEMBL4407669

SCHEMBL4407669

O=C(N1CCC2(C1)OCc1ccncc12)C1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.65
CYP2D6 P10635 1/20 0.54
AVPR1A P37288 2/20 0.53
ALDH1A1 P00352 1/20 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
SCHEMBL3970017 0.92 HSD11B1 (0.68) HSD11B1CYP2D6AVPR1AALDH1A1
SCHEMBL349521 0.85 HSD11B1 (0.67) HSD11B1CYP2D6AVPR1AALDH1A1
SCHEMBL349295 0.81 HSD11B1 (0.85) HSD11B1CYP2D6
SCHEMBL3971621 0.80 HSD11B1 (0.69) HSD11B1CYP2D6
SCHEMBL3967995 0.80 HSD11B1 (0.59) HSD11B1CYP2D6AVPR1A
SCHEMBL3971584 0.79 HSD11B1 (0.52) HSD11B1CYP2D6AVPR1A
SCHEMBL349442 0.79 HSD11B1 (1.00) HSD11B1CYP2D6
SCHEMBL349448 0.78 HSD11B1 (0.60) HSD11B1CYP2D6AVPR1AALDH1A1
SCHEMBL1322797 0.77 HSD11B1 (0.73) HSD11B1CYP2D6
SCHEMBL3972479 0.77 HSD11B1 (0.56) HSD11B1CYP2D6AVPR1AALDH1A1

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