SCHEMBL3884853

SCHEMBL3884853

O=C(O)N1CCC(c2nc3c(s2)CCN(C2CCC2)CC3)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 5/20 0.34
L3MBTL1 Q9Y468 5/20 0.34
GRM5 P41594 8/20 0.34
UBE2M P61081 5/20 0.31
DCUN1D1 Q96GG9 5/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 2/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL3883227 0.94 GRM5 (0.33) L3MBTL3L3MBTL1GRM5ALDH1A1KDM4E
SCHEMBL3880598 0.89 GRM5 (0.37) L3MBTL3L3MBTL1GRM5ALDH1A1
SCHEMBL3878666 0.86 ACACB (0.35) L3MBTL3L3MBTL1GRM5POLBHSD17B10
SCHEMBL3882073 0.85 HRH3 (0.45) L3MBTL3L3MBTL1GRM5TP53POLB
SCHEMBL3878786 0.84 ALDH1A1 (0.37) L3MBTL1GRM5LMNATP53ALDH1A1
SCHEMBL3879089 0.83 KDM4E (0.51) L3MBTL3L3MBTL1UBE2MDCUN1D1LMNA
SCHEMBL3879929 0.83 HRH3 (0.41) HTTKDM4E
SCHEMBL3879360 0.82 UBE2M (0.55) L3MBTL3L3MBTL1UBE2MDCUN1D1LMNA
SCHEMBL3880575 0.82 HRH3 (0.50) L3MBTL3L3MBTL1UBE2MDCUN1D1LMNA
SCHEMBL3891896 0.82

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-1858900-B1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LTD (GB) 2009-01-07 EP claimed