SCHEMBL3137920

SCHEMBL3137920

CCOc1cc(CN2CCC(n3c(C)nc4cc(OC(=O)O)ccc43)CC2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
SSTR5 P35346 3/20 0.45
HRH1 P35367 2/20 0.45
USP2 O75604 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
PKM P14618 2/20 0.44
MAPK1 P28482 3/20 0.44
GLA P06280 1/20 0.44
UBE2N P61088 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 3/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL3128606 0.92 ALDH1A1 (0.47) ALDH1A1SSTR5USP2SMN1; SMN2PKM
SCHEMBL3128667 0.90 SSTR5 (0.48) ALDH1A1SSTR5HRH1USP2SMN1; SMN2
SCHEMBL3138408 0.89 USP2 (0.43) ALDH1A1SSTR5USP2SMN1; SMN2PKM
SCHEMBL3130702 0.89 USP2 (0.42) ALDH1A1SSTR5USP2SMN1; SMN2PKM
SCHEMBL3128617 0.88 SSTR5 (0.47) ALDH1A1SSTR5USP2SMN1; SMN2PKM
SCHEMBL3137260 0.88 USP2 (0.44) ALDH1A1SSTR5HRH1USP2SMN1; SMN2
SCHEMBL3133924 0.88 USP2 (0.44) ALDH1A1SSTR5USP2SMN1; SMN2PKM
SCHEMBL3091123 0.88 L3MBTL1 (0.54) ALDH1A1SSTR5HRH1USP2SMN1; SMN2
SCHEMBL3141839 0.87 NPC1 (0.47) USP2MAPK1GLAUBE2NNPSR1
SCHEMBL3132253 0.87 SSTR5 (0.44) ALDH1A1SSTR5USP2SMN1; SMN2PKM

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