SCHEMBL2322685

SCHEMBL2322685

CCN(CC)c1ccc(NC=O)cn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.50
AOC3 Q16853 1/20 0.42
LMNA P02545 2/20 0.40
DGAT1 O75907 2/20 0.39
TRPV1 Q8NER1 2/20 0.36
HCAR3 P49019 1/20 0.36
CACNA1H O95180 1/20 0.36
ALDH1A1 P00352 3/20 0.34
ALDH3A1 P30838 1/20 0.34
ALDH1A3 P47895 1/20 0.34
MYC P01106 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM1A O60341 1/20 0.33

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
Hydrochloric Acid SCHEMBL5710510 0.81 KDM1A (0.45) LMNATRPV1ALDH1A1KDM1A
SCHEMBL27833127 0.79 GBA1 (0.56) GBA1AOC3LMNADGAT1TRPV1
SCHEMBL28161952 0.77 LMNA (0.40) LMNAALDH1A1MEN1KMT2A
SCHEMBL2322679 0.77 GBA1 (0.50) GBA1AOC3LMNADGAT1TRPV1
Hydrochloric Acid SCHEMBL11157402 0.76 GBA1 (0.53) GBA1AOC3LMNADGAT1HCAR3
SCHEMBL30369918 0.75 ALDH1A1 (0.57) GBA1AOC3LMNAHCAR3ALDH1A1
SCHEMBL19330155 0.75 ALDH1A1 (0.57) GBA1AOC3LMNAHCAR3ALDH1A1
SCHEMBL29636439 0.74 GBA1 (0.47) GBA1AOC3DGAT1TRPV1HCAR3
SCHEMBL21628214 0.74 GBA1 (0.47) GBA1AOC3DGAT1TRPV1HCAR3
SCHEMBL224556 0.73 ALDH1A1 (0.59) LMNAALDH1A1ALDH3A1ALDH1A3MEN1

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-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed