SCHEMBL8193733

SCHEMBL8193733

C=C1CC[C@@H](Cc2ccc(-c3ccccc3)cc2)N1C(=O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 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
TSHR P16473 2/20 0.36
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP26A1 O43174 1/20 0.36
ABCC4 O15439 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
PTGS1 P23219 1/20 0.35
HTT P42858 1/20 0.35

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) RIPK1ABHD6DAGLAMEN1ALDH1A1
SCHEMBL598349 0.86 HCRTR1 (0.39) RIPK1ABHD6DAGLAMEN1ALDH1A1
SCHEMBL1231214 0.80 RIPK1 (0.38) RIPK1ABHD6DAGLAKMT2ATSHR
SCHEMBL1231216 0.80 RIPK1 (0.38) RIPK1ABHD6DAGLAKMT2ATSHR
SCHEMBL597215 0.76 SMN1; SMN2 (0.38) RIPK1MEN1KMT2ATSHRMME
SCHEMBL9974772 0.76 CYP3A4 (0.36) RIPK1ALDH1A1KMT2ATSHRMME
SCHEMBL18175828 0.76 CYP3A4 (0.36) RIPK1ALDH1A1KMT2ATSHRMME
SCHEMBL8181740 0.76 HCRTR1 (0.38) ABHD6DAGLAMEN1ALDH1A1KMT2A
SCHEMBL599395 0.76 SMN1; SMN2 (0.38) RIPK1MEN1KMT2ATSHRMME
SCHEMBL9929765 0.76 CYP3A4 (0.36) RIPK1ALDH1A1KMT2ATSHRMME

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