SCHEMBL4945954

SCHEMBL4945954

Nc1ccnc(N2CCN(C(=O)O)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 5/20 0.46
GAA P10253 1/20 0.44
ACHE P22303 3/20 0.44
KDM1A O60341 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 3/20 0.43
OGA O60502 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
GBA1 P04062 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL6800518 0.86 ACHE (0.55) SLC6A7ACHEPKMKDM4EOGA
SCHEMBL15285931 0.81 SLC6A7 (0.66) SLC6A7ACHEALDH1A1HSD17B10KDM4E
SCHEMBL2228019 0.81 PANK3 (0.58) SLC6A7GAAACHEALDH1A1TSHR
SCHEMBL17438471 0.81 ALDH1A1 (0.40) KDM1AALDH1A1TSHRHSD17B10
SCHEMBL19015403 0.79 ACHE (0.61) ACHE
SCHEMBL4498884 0.78 ACHE (0.52) SLC6A7ACHETSHRKDM4E
SCHEMBL2856220 0.78 GAA (0.61) SLC6A7GAAALDH1A1TSHRHSD17B10
SCHEMBL4947574 0.78 KDM1A (0.48) GAAACHEKDM1AALDH1A1HSD17B10
SCHEMBL10187275 0.78 KDM1A (0.48) ACHEKDM1APKMOGA
SCHEMBL5232026 0.78 SLC6A7 (0.68) SLC6A7ALDH1A1HSD17B10PKMKDM4E

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
WO-2008089034-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-07-24 WO disclosed