SCHEMBL4717075

SCHEMBL4717075

COc1ccccc1C(=O)c1cc2cccc(OC)c2nc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.49
LMNA P02545 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MCHR1 Q99705 1/20 0.47
CDK1 P06493 3/20 0.46
CDK4 P11802 3/20 0.46
CDK2 P24941 3/20 0.46
CCND1 P24385 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CDK5 Q00535 2/20 0.44
CDK5R1 Q15078 2/20 0.44
RORB Q92753 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL30518910 0.85 ALDH1A1 (0.58) HSD17B10MCHR1KMT2ACDK5CDK5R1
SCHEMBL26051124 0.85 ALDH1A1 (0.58) HSD17B10MCHR1KMT2ACDK5CDK5R1
SCHEMBL4714235 0.84 CNR2 (0.49) CNR2LMNAALOX15HSD17B10MEN1
SCHEMBL22902557 0.79 MEN1 (0.47) LMNAALOX15HSD17B10MCHR1MEN1
SCHEMBL3219464 0.78 KDM4E (0.52) CNR2LMNAALOX15HSD17B10CDK1
SCHEMBL3222683 0.76 TLR8 (0.57) CNR2LMNAALOX15HSD17B10MEN1
SCHEMBL29658169 0.75 CTSD (0.62) CNR2LMNAALOX15HSD17B10HTT
SCHEMBL322168 0.75 CTSD (0.62) CNR2LMNAALOX15HSD17B10HTT
SCHEMBL1655885 0.75 MCHR1 (0.56) LMNAALOX15HSD17B10MCHR1MEN1
SCHEMBL3835745 0.75 MAPK14 (0.50) CNR2LMNAALOX15HSD17B10CDK1

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-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 WO disclosed