SCHEMBL8358496

SCHEMBL8358496

Bc1cccc(C2C(=O)N(CC3CCN(C(=O)OC(C)(C)C)CC3)Cc3cncn32)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.40
IDO1 P14902 3/20 0.39
BACE1 P56817 1/20 0.38
USP7 Q93009 2/20 0.38
GPR119 Q8TDV5 6/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
P2RX7 Q99572 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HPGDS O60760 1/20 0.36
TGFBR1 P36897 1/20 0.36

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
SCHEMBL3573680 0.90 FPR2 (0.45) FPR2IDO1BACE1USP7GPR119
SCHEMBL5226815 0.76 CYP11B1 (0.34) FPR2MAPTCYP11B1CYP11B2
SCHEMBL15043876 0.71 NAMPT (0.53) GPR119KDM4EPKMTP53MAPT
SCHEMBL13761147 0.69 KDM4E (0.51) GPR119KDM4EPKMTP53MAPT
SCHEMBL7863458 0.68 FPR2 (0.43) FPR2BACE1USP7GPR119KDM4E
SCHEMBL13160667 0.67 SLC2A1 (0.55) GPR119KDM4EPKMTGFBR1
SCHEMBL3449027 0.66 FPR2 (0.44) FPR2BACE1GPR119KDM4EPKM
SCHEMBL24862305 0.66 GPR119 (0.55) GPR119
SCHEMBL7971619 0.65 KDM4E (0.57) GPR119KDM4EPKMTP53MAPT
SCHEMBL23531642 0.65 USP7 (0.51) IDO1BACE1USP7GPR119KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004014914-A1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2004-02-19 WO disclosed