SCHEMBL3045604

SCHEMBL3045604

CCOC(=O)c1nc2ccc(C(=O)N(CCC(C)C)CCC(C)C)cn2c1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.45
MC4R P32245 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MAPK1 P28482 2/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
ADORA3 P0DMS8 3/20 0.36
ADORA1 P30542 2/20 0.36
SLC2A1 P11166 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LPAR1 Q92633 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34

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
SCHEMBL8046080 0.84 MC4R (0.39) MC4RNPC1RAB9APTGS1PTGS2
SCHEMBL8037842 0.84 SLC2A1 (0.37) MC4RNPC1RAB9APTGS1PTGS2
SCHEMBL13447215 0.81 MC4R (0.37) MC4RSLC2A1LPAR1LPAR5
SCHEMBL12990120 0.81 MC4R (0.49) MC4R
SCHEMBL3041898 0.80 MC4R (0.37) MC4R
SCHEMBL3045449 0.80 KDM4E (0.51) MC4RNPC1RAB9AGAACYP1A2
SCHEMBL13393510 0.80 MC4R (0.41) MC4RSLC2A1
SCHEMBL24616744 0.75 PDE4A (0.54) PDE4ANPC1RAB9APTGS1PTGS2
SCHEMBL13034740 0.75 HDAC1 (0.35) MC4RNPC1RAB9ASLC2A1ALDH1A1
SCHEMBL12990422 0.75 MCHR1 (0.39) MC4RSLC2A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010034500-A1 SUBSTITUTED IMIDAZOPYRIDINE, IMIDAZOPYRAZINE, IMIDAZOPYRIDAZINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2010-04-01 WO disclosed
WO-2010034500-A1 SUBSTITUTED IMIDAZOPYRIDINE, IMIDAZOPYRAZINE, IMIDAZOPYRIDAZINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2010-04-01 WO disclosed
EP-2168965-A1 Substituted imidazopyridine, imidazopyrazine, imidazopyridazine and imidazopyrimidine derivatives as melanocortin-4 receptor antagonists Santhera Pharmaceuticals (Schweiz) AG (CH) 2010-03-31 EP disclosed
EP-2168965-A1 Substituted imidazopyridine, imidazopyrazine, imidazopyridazine and imidazopyrimidine derivatives as melanocortin-4 receptor antagonists Santhera Pharmaceuticals (Schweiz) AG (CH) 2010-03-31 EP disclosed