SCHEMBL8358035

SCHEMBL8358035

CC(C)CN[C@@H]1CCCCNC1=O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.53
HTT P42858 1/20 0.51
MMP1 P03956 6/20 0.50
MMP3 P08254 2/20 0.50
MMP2 P08253 1/20 0.49
MMP7 P09237 1/20 0.49
MMP8 P22894 1/20 0.49
RAB9A P51151 1/20 0.44

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
SCHEMBL3008085 1.00 CCR2 (0.53) CCR2HTTMMP1MMP3MMP2
SCHEMBL2778896 1.00 CCR2 (0.53) CCR2HTTMMP1MMP3MMP2
SCHEMBL17149319 0.87 CCR2 (0.40) CCR2HTTMMP1MMP3MMP2
SCHEMBL17149318 0.87 CCR2 (0.40) CCR2HTTMMP1MMP3MMP2
SCHEMBL14040506 0.87 CCR2 (0.40) CCR2HTTMMP1MMP3MMP2
SCHEMBL4006271 0.83 CCR2 (0.54) CCR2HTTMMP1MMP3MMP2
SCHEMBL9508026 0.82 HTT (0.58) CCR2HTTRAB9A
SCHEMBL8365578 0.82 HTT (0.58) CCR2HTTRAB9A
SCHEMBL278259 0.80 CCR2 (0.54) CCR2HTTMMP1MMP3MMP2
SCHEMBL10824810 0.80 CCR2 (0.49) CCR2HTTMMP1MMP3MMP2

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-2003045378-A1 AMINO ACID DERIVATIVES USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-06-05 WO disclosed