SCHEMBL3930203

SCHEMBL3930203

CC(C)N(C(=O)O)c1cccc([C@H](C)N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 2/20 0.37
PTGS1 P23219 2/20 0.37
CXCR1 P25024 2/20 0.37
CXCR2 P25025 2/20 0.37
PTGS2 P35354 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HIF1A Q16665 2/20 0.37
ANPEP P15144 1/20 0.37
ENPEP Q07075 1/20 0.37
RECQL P46063 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
PMP22 Q01453 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37

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
SCHEMBL3922657 0.85 MEN1 (0.45) HTR2CSMN1; SMN2LMNAALDH1A1TP53
SCHEMBL1561101 0.83 ACHE (0.49) HTR2CSMN1; SMN2LMNAALDH1A1TP53
SCHEMBL1561077 0.83 ACHE (0.49) HTR2CSMN1; SMN2LMNAALDH1A1TP53
SCHEMBL2850199 0.80 HTR2C (0.47) HTR2CSMN1; SMN2LMNAALDH1A1TP53
SCHEMBL5263828 0.80 SLC7A5 (0.38) HTR2CSMN1; SMN2LMNAALDH1A1TP53
SCHEMBL666891 0.78 KDM4E (0.35) SMN1; SMN2LMNAALDH1A1MAPTPTGS1
SCHEMBL3933066 0.77 HTR2C (0.47) HTR2CSMN1; SMN2LMNAALDH1A1TP53
SCHEMBL5262282 0.77 MTNR1A (0.44) HTR2CSMN1; SMN2LMNAALDH1A1TP53
SCHEMBL578453 0.77 ALDH1A1 (0.47) HTR2CSMN1; SMN2LMNAALDH1A1TP53
SCHEMBL16934132 0.77 ALDH1A1 (0.47) HTR2CSMN1; SMN2LMNAALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041118-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2009-04-01 EP disclosed
WO-2007114827-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-10-11 WO disclosed