SCHEMBL4718693

SCHEMBL4718693

CCc1nc(Oc2ccc(C#N)c(C)c2)ccc1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
FFAR4 Q5NUL3 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
ESRRA P11474 1/20 0.35
AR P10275 4/20 0.34
SLC22A12 Q96S37 1/20 0.34
PDE4B Q07343 2/20 0.34
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPARG P37231 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33

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
SCHEMBL4598575 0.87 HRH3 (0.46) HRH3MRGPRX4ESRRAARSLC22A12
SCHEMBL4598015 0.76 KDM4E (0.60) HRH3MRGPRX4ESRRAARSLC22A12
SCHEMBL4597712 0.75 HRH3 (0.44) HRH3ARSLC22A12PPARG
SCHEMBL4598354 0.75 AR (0.49) HRH3ESRRAARSLC22A12KDM4E
SCHEMBL16483429 0.73 FFAR4 (0.47) HRH3FFAR4MRGPRX4ARKDM4E
SCHEMBL2229628 0.70 PDE4B (0.42) HRH3ARPDE4BPDE4APDE4C
SCHEMBL2527265 0.69 KDM4E (0.40) FFAR4PDE4BPDE4APDE4CPDE4D
SCHEMBL4596118 0.68 MAP4K4 (0.51) KDM4EMAPTMEN1KMT2A
SCHEMBL2532242 0.67 KDM4E (0.42) HRH3ARPDE4BPDE4APDE4C
SCHEMBL4596740 0.67 MAPT (0.38) KDM4EMAPTMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed