SCHEMBL3138202

SCHEMBL3138202

COc1ccc(CN2CCC(n3c(C)nc4cc(OC(=O)O)ccc43)CC2)cc1OC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
PKM P14618 2/20 0.47
MAPK1 P28482 4/20 0.46
GLA P06280 1/20 0.46
UBE2N P61088 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
PDE7A Q13946 2/20 0.42
PDE8A O60658 1/20 0.41
PDE7B Q9NP56 1/20 0.41
USP2 O75604 3/20 0.41
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
MCHR1 Q99705 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL3130955 0.91 SSTR5 (0.47) ALDH1A1PKMMAPK1GLAUBE2N
SCHEMBL3130702 0.90 USP2 (0.42) ALDH1A1PKMMAPK1GLAUBE2N
SCHEMBL3090069 0.89 L3MBTL1 (0.53) ALDH1A1PKMMAPK1GLAUBE2N
SCHEMBL3138363 0.89 ALDH1A1 (0.47) ALDH1A1PKMMAPK1GLAUBE2N
SCHEMBL3130713 0.88 ALDH1A1 (0.48) ALDH1A1PKMMAPK1GLAUBE2N
SCHEMBL3137521 0.86 ALDH1A1 (0.44) ALDH1A1PKMMAPK1GLAUBE2N
SCHEMBL3133930 0.85 MAPK1 (0.52) ALDH1A1MAPK1UBE2NNPSR1SMN1; SMN2
SCHEMBL3132300 0.84 KDM4E (0.41) ALDH1A1PKMMAPK1GLAUBE2N
SCHEMBL3138408 0.84 USP2 (0.43) ALDH1A1PKMMAPK1GLAUBE2N
SCHEMBL3138195 0.84 ALDH1A1 (0.42) ALDH1A1PKMMAPK1GLAUBE2N

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
EP-2142528-B1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS HOFFMANN LA ROCHE (CH) 2010-07-07 EP claimed