SCHEMBL3128606

SCHEMBL3128606

CCOc1cc(CN2CCC(n3c(C)nc4cc(OC(=O)O)ccc43)CC2)cc(OCC)c1F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
SSTR5 P35346 9/20 0.47
USP2 O75604 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
PKM P14618 2/20 0.45
MAPK1 P28482 3/20 0.45
GLA P06280 1/20 0.45
UBE2N P61088 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KCNH2 Q12809 2/20 0.45
TSHR P16473 1/20 0.43
HTT P42858 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
SCHEMBL3137920 0.92 ALDH1A1 (0.46) ALDH1A1SSTR5USP2SMN1; SMN2PKM
SCHEMBL3128617 0.92 SSTR5 (0.47) ALDH1A1SSTR5USP2SMN1; SMN2PKM
SCHEMBL3133924 0.92 USP2 (0.44) ALDH1A1SSTR5USP2SMN1; SMN2PKM
SCHEMBL3137260 0.92 USP2 (0.44) ALDH1A1SSTR5USP2SMN1; SMN2PKM
SCHEMBL3135069 0.90 SSTR5 (0.57) ALDH1A1SSTR5KCNH2
SCHEMBL3133541 0.90 SSTR5 (0.50) ALDH1A1SSTR5USP2SMN1; SMN2PKM
SCHEMBL3128281 0.90 USP2 (0.47) ALDH1A1USP2SMN1; SMN2PKMMAPK1
SCHEMBL3134311 0.89 SSTR5 (0.43) ALDH1A1SSTR5USP2SMN1; SMN2PKM
SCHEMBL3128667 0.88 SSTR5 (0.48) ALDH1A1SSTR5USP2SMN1; SMN2PKM
SCHEMBL3093309 0.88 SSTR5 (0.58) SSTR5USP2SMN1; SMN2PKMMAPK1

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