SCHEMBL8181740

SCHEMBL8181740

CC(C)(C)CC(=O)N1C(=O)CC[C@H]1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
CYP26A1 O43174 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
RAB9A P51151 1/20 0.36
NAAA Q02083 2/20 0.36
FAAH O00519 1/20 0.36
CCR5 P51681 1/20 0.36
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
ABHD6 Q9BV23 3/20 0.36
DAGLA Q9Y4D2 3/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL598350 0.86 HCRTR1 (0.39) HCRTR1HCRTR2SMN1; SMN2TSHRCYP26A1
SCHEMBL598349 0.86 HCRTR1 (0.39) HCRTR1HCRTR2SMN1; SMN2TSHRCYP26A1
SCHEMBL598931 0.85 BRD4 (0.42) HCRTR1HCRTR2SMN1; SMN2TSHRCYP26A1
SCHEMBL598932 0.85 BRD4 (0.42) HCRTR1HCRTR2SMN1; SMN2TSHRCYP26A1
SCHEMBL3395450 0.84 CYP26A1 (0.42) HCRTR1HCRTR2SMN1; SMN2TSHRCYP26A1
SCHEMBL3395452 0.84 CYP26A1 (0.42) HCRTR1HCRTR2SMN1; SMN2TSHRCYP26A1
SCHEMBL598705 0.83 KLK7 (0.45) HCRTR1HCRTR2DPP4
SCHEMBL598704 0.83 KLK7 (0.45) HCRTR1HCRTR2DPP4
SCHEMBL13717031 0.81 ABCB1 (0.44) SMN1; SMN2CYP26A1RAB9ACCR5MEN1
SCHEMBL12518938 0.81 ABCB1 (0.44) SMN1; SMN2CYP26A1RAB9ACCR5MEN1

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-2008083967-A2 PROCESS FOR PREPARING 5-BIPHENYL-4-AMINO-2-METHYL PENTANOIC ACID NOVARTIS AG (CH) 2008-07-17 WO disclosed