SCHEMBL1777904

SCHEMBL1777904

CCC[C@@H](C)N1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
NR1H3 Q13133 6/20 0.42
NR1H2 P55055 5/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.39
PANK3 Q9H999 1/20 0.39
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
ALK Q9UM73 2/20 0.39

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
SCHEMBL12603486 1.00 MAPT (0.48) MAPTMAPK1HTTSMN1; SMN2NR1H3
SCHEMBL1779177 0.90 MAPT (0.49) MAPTMAPK1HTTSMN1; SMN2NR1H3
SCHEMBL4589422 0.87 MAPT (0.47) MAPTMAPK1HTTSMN1; SMN2RAB9A
SCHEMBL4589420 0.87 MAPT (0.47) MAPTMAPK1HTTSMN1; SMN2RAB9A
SCHEMBL1777754 0.86 MAPT (0.54) MAPTMAPK1HTTSMN1; SMN2NR1H3
SCHEMBL1779447 0.86 MAPT (0.54) MAPTMAPK1HTTSMN1; SMN2NR1H3
SCHEMBL12603493 0.83 MAPT (0.50) MAPTMAPK1HTTSMN1; SMN2NR1H3
SCHEMBL4650314 0.83 MAPT (0.48) MAPTMAPK1HTTSMN1; SMN2RAB9A
SCHEMBL12603492 0.83 MAPT (0.50) MAPTMAPK1HTTSMN1; SMN2NR1H3
SCHEMBL12603512 0.81 MAPT (0.48) MAPTMAPK1HTTSMN1; SMN2NR1H3

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
US-7943768-B2 Piperazine compounds useful as antagonists of C-C chemokines (Ccr2b and CcrS) for the treatment of inflammatory diseases ASTRAZENECA AB (SE) 2011-05-17 US disclosed