SCHEMBL599395

SCHEMBL599395

CC1CC(Cc2ccc(-c3ccccc3)cc2)N(C(=O)C(C)(C)C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 2/20 0.38
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37
GRM2 Q14416 1/20 0.36
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
CAPN1 P07384 1/20 0.35
BRD4 O60885 2/20 0.35
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
FAAH O00519 2/20 0.35
MGLL Q99685 1/20 0.35
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL597215 1.00 SMN1; SMN2 (0.38) SMN1; SMN2TSHRHCRTR1HCRTR2GRM2
SCHEMBL1908573 1.00 SMN1; SMN2 (0.38) SMN1; SMN2TSHRHCRTR1HCRTR2GRM2
SCHEMBL1908540 1.00 SMN1; SMN2 (0.38) SMN1; SMN2TSHRHCRTR1HCRTR2GRM2
SCHEMBL9929765 0.88 CYP3A4 (0.36) SMN1; SMN2TSHRMMEACEACE2
SCHEMBL18175828 0.88 CYP3A4 (0.36) SMN1; SMN2TSHRMMEACEACE2
SCHEMBL9974772 0.88 CYP3A4 (0.36) SMN1; SMN2TSHRMMEACEACE2
SCHEMBL17965498 0.87 TSHR (0.41) SMN1; SMN2TSHRHCRTR1HCRTR2GRM2
SCHEMBL8198647 0.87 SMN1; SMN2 (0.40) SMN1; SMN2TSHRHCRTR1HCRTR2GRM2
SCHEMBL598389 0.86 KLK7 (0.45)
SCHEMBL598255 0.86 KLK7 (0.45)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115016-B2 Process for preparing 5-biphenyl-4-amino-2-methyl pentanoic acid NOVARTIS AG (CH) 2012-02-14 US disclosed
EP-2121578-A2 NEW PROCESS Novartis AG (CH) 2009-11-25 EP disclosed
WO-2008083967-A2 PROCESS FOR PREPARING 5-BIPHENYL-4-AMINO-2-METHYL PENTANOIC ACID NOVARTIS AG (CH) 2008-07-17 WO disclosed