SCHEMBL3973749

SCHEMBL3973749

COc1ncc(C(=O)C2(c3ccnc4ccccc34)CC2)c2c1C(=O)OC21CCNC1

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
SSTR1 P30872 1/20 0.31
SSTR2 P30874 1/20 0.31
SSTR4 P31391 1/20 0.31
SSTR3 P32745 1/20 0.31
SSTR5 P35346 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL3971814 0.88 SSTR1 (0.31) CYP3A4SSTR1SSTR2SSTR4SSTR3
SCHEMBL351343 0.70 HSD11B1 (0.48) CYP2D6
SCHEMBL3976955 0.64 NPY5R (0.35) ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL21937423 0.63 SLC22A12 (0.45) CYP1A2HTTP2RX7
SCHEMBL17055224 0.62 HSD11B1 (0.47) CYP2D6
SCHEMBL31446701 0.62 SLC22A12 (0.52) CYP1A2P2RX7
SCHEMBL350775 0.62 SLC22A12 (0.52) CYP1A2P2RX7
SCHEMBL4078060 0.62 NPY5R (0.34) P2RX7
SCHEMBL3910622 0.62 HSD11B1 (0.37) ALDH1A1CYP2D6
SCHEMBL3970810 0.62 AKT1 (0.32) ALDH1A1

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 disclosed
EP-1756063-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-02-28 EP disclosed
WO-2005110992-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2005-11-24 WO disclosed