SCHEMBL3045449

SCHEMBL3045449

CCOC(=O)c1cn2cc(C(=O)N(CCC(C)C)CCC(C)C)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.44
RAB9A P51151 6/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 4/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
MC4R P32245 1/20 0.37

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
SCHEMBL3031186 0.80 MC4R (0.38) KDM4EPOLBGAARAB9ASMN1; SMN2
SCHEMBL3045604 0.80 PDE4A (0.45) KDM4EGAARAB9ASMN1; SMN2NPC1
SCHEMBL19389669 0.78 KDM4E (0.63) KDM4EPOLBGAARAB9AMAPT
SCHEMBL29183557 0.78 KDM4E (0.63) KDM4EPOLBGAARAB9AMAPT
SCHEMBL11929580 0.76 MC4R (0.36) KDM4EPOLBGAARAB9ASMN1; SMN2
SCHEMBL3770491 0.76 KDM4E (0.60) KDM4EPOLBGAARAB9AMAPT
SCHEMBL21029936 0.76 KDM4E (0.60) KDM4EPOLBGAARAB9AMAPT
SCHEMBL8046080 0.75 MC4R (0.39) GAARAB9ANPC1ALDH1A1CYP1A2
SCHEMBL8037842 0.75 SLC2A1 (0.37) GAARAB9ANPC1CYP1A2MC4R
SCHEMBL871014 0.75 KDM4E (0.69) KDM4EPOLBGAARAB9AMAPT

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