SCHEMBL3128667

SCHEMBL3128667

CCOc1cc(CN2CCC(n3c(C)nc4cc(OC(=O)O)ccc43)CC2)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 9/20 0.48
HRH1 P35367 2/20 0.48
SSTR1 P30872 1/20 0.48
HTR2B P41595 1/20 0.45
KCNH2 Q12809 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
AKT1 P31749 1/20 0.41
PKM P14618 1/20 0.41
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.41
UBE2N P61088 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CCR1 P32246 1/20 0.40
CCR3 P51677 1/20 0.40
LMNA P02545 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
SCHEMBL3128617 0.92 SSTR5 (0.47) SSTR5SSTR1KCNH2USP2ALDH1A1
SCHEMBL3137920 0.90 ALDH1A1 (0.46) SSTR5HRH1USP2ALDH1A1SMN1; SMN2
SCHEMBL3130702 0.89 USP2 (0.42) SSTR5KCNH2USP2ALDH1A1SMN1; SMN2
SCHEMBL3133924 0.88 USP2 (0.44) SSTR5KCNH2USP2ALDH1A1SMN1; SMN2
SCHEMBL3137260 0.88 USP2 (0.44) SSTR5HRH1SSTR1KCNH2USP2
SCHEMBL3128606 0.88 ALDH1A1 (0.47) SSTR5KCNH2USP2ALDH1A1SMN1; SMN2
SCHEMBL3098885 0.88 SSTR5 (0.59) SSTR5HRH1SSTR1HTR2BKCNH2
SCHEMBL3138408 0.87 USP2 (0.43) SSTR5USP2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3132300 0.87 KDM4E (0.41) SSTR5KCNH2USP2ALDH1A1SMN1; SMN2
SCHEMBL3141839 0.87 NPC1 (0.47) USP2GLAMAPK1UBE2NNPSR1

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