SCHEMBL8348221

SCHEMBL8348221

Cc1cccc(C)c1NC(=O)C1(NC(=O)OC(C)(C)C)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.46
KMT2A Q03164 1/20 0.45
LCK P06239 1/20 0.45
PKM P14618 1/20 0.44
TRPV1 Q8NER1 9/20 0.43
GHSR Q92847 1/20 0.43
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL8344329 0.86 KMT2A (0.50) FAAHKMT2ATRPV1GHSRTDP1
SCHEMBL8345080 0.85 MEN1 (0.52) FAAHKMT2ATRPV1GHSRTDP1
SCHEMBL8346749 0.82 GHSR (0.47) FAAHKMT2ATRPV1GHSRPOLB
SCHEMBL8347084 0.80 FAAH (0.57) FAAHTRPV1GHSR
SCHEMBL8334553 0.79 FAAH (0.56) FAAHTRPV1GHSRGAATSHR
SCHEMBL25384603 0.79 FAAH (0.62) FAAHTRPV1GHSRPOLBALDH1A1
SCHEMBL24574915 0.77 LCK (0.60) KMT2ALCKPOLBALDH1A1TSHR
SCHEMBL6268190 0.77 FAAH (0.63) FAAHTRPV1GHSR
SCHEMBL2934983 0.77 FAAH (0.46) FAAHTRPV1GHSRPOLB
SCHEMBL6239518 0.76 FAAH (0.65) FAAHTRPV1GHSR

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-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed