SCHEMBL3971709

SCHEMBL3971709

O=C1OC2(CCN(C(=O)C3(c4ccc(OCc5ccc(Br)cc5F)cc4)CC3)C2)c2ccncc21.O=C1OC2(CCN(C(=O)C3(c4ccc(OCc5ccc(F)cc5Cl)cc4)CC3)C2)c2ccncc21

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.59
CYP2D6 P10635 1/20 0.45
ADAMTS5 Q9UNA0 2/20 0.37
ADAMTS7 Q9UKP4 1/20 0.37
MMP1 P03956 2/20 0.35
ADAMTS4 O75173 1/20 0.35
TNF P01375 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
ADAM17 P78536 1/20 0.35
ADAMTS1 Q9UHI8 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
SCHEMBL348509 0.94 HSD11B1 (0.62) HSD11B1CYP2D6
SCHEMBL351129 0.94 HSD11B1 (0.66) HSD11B1CYP2D6ADAMTS5ADAMTS7
SCHEMBL350735 0.85 HSD11B1 (0.66) HSD11B1CYP2D6
SCHEMBL351068 0.84 HSD11B1 (0.60) HSD11B1CYP2D6
SCHEMBL351069 0.84 HSD11B1 (0.60) HSD11B1CYP2D6
SCHEMBL351116 0.82 HSD11B1 (0.67) HSD11B1CYP2D6
SCHEMBL3969697 0.82 HSD11B1 (0.67) HSD11B1CYP2D6
SCHEMBL3972417 0.82 HSD11B1 (0.64) HSD11B1CYP2D6
SCHEMBL349451 0.82 HSD11B1 (0.64) HSD11B1CYP2D6
SCHEMBL349161 0.79 HSD11B1 (0.71) HSD11B1CYP2D6ADAM17

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