SCHEMBL5041827

SCHEMBL5041827

N#Cc1cc(Cl)ccc1N1CCN(C(=O)c2ccccc2OCC2CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
TSHR P16473 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
RAB9A P51151 1/20 0.52
SLC6A9 P48067 5/20 0.51
CHRM4 P08173 1/20 0.51
KCNH2 Q12809 1/20 0.51
ALOX15 P16050 3/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 2/20 0.43
HTT P42858 2/20 0.43
POLB P06746 1/20 0.43
NOD2 Q9HC29 1/20 0.43
MGLL Q99685 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
SCHEMBL4427341 0.85 SLC6A9 (0.72) SLC6A9KCNH2
SCHEMBL3756964 0.73 NPSR1 (0.47) LMNASMN1; SMN2TSHRNPSR1RAB9A
SCHEMBL3756961 0.73 NPSR1 (0.47) LMNASMN1; SMN2TSHRNPSR1RAB9A
SCHEMBL5047851 0.72 SLC6A9 (0.76) SLC6A9KCNH2
SCHEMBL5043261 0.71 SLC6A9 (0.76) SLC6A9KCNH2
SCHEMBL5041853 0.71 SLC6A9 (0.73) SLC6A9KCNH2
SCHEMBL2636948 0.70 NOTUM (0.60) LMNACHRM4MAPTGAAHTT
SCHEMBL5042701 0.69 SLC6A9 (0.79) SLC6A9KCNH2
SCHEMBL4433347 0.69 SLC6A9 (0.71) SLC6A9KCNH2
SCHEMBL19834015 0.69 GPR119 (0.51) KDM4E

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-1656361-B1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed