SCHEMBL5498618

SCHEMBL5498618

CN(C)CCCNC(=O)N(CCc1ccccc1)C(=O)CC1(CC(=O)O)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
HTT P42858 1/20 0.38
GAA P10253 2/20 0.38
LPAR1 Q92633 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL5499900 0.99 GAA (0.39) TMEM97SIGMAR1HTTGAALPAR1
SCHEMBL5499890 0.86 GAA (0.36) GAALPAR1ALDH1A1
SCHEMBL5158077 0.78 ALDH1A1 (0.48) GAAKMT2AALDH1A1
SCHEMBL5494080 0.74 TACR2 (0.55)
SCHEMBL5492268 0.73 TACR2 (0.57) ALDH1A1
SCHEMBL5494652 0.70 TACR2 (0.53) ALDH1A1
SCHEMBL6543815 0.69 EPHX2 (0.38) TMEM97SIGMAR1GAA
SCHEMBL5491193 0.69 TACR2 (0.55) ALDH1A1
SCHEMBL6377833 0.68 SIGMAR1 (0.47) SIGMAR1GAAALDH1A1
SCHEMBL6377764 0.68 CYP3A4 (0.48) GAAKMT2AALDH1A1

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-1753782-A1 MEDIATORS OF REVERSE CHOLESTEROL TRANSPORT FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA AVANIR PHARMACEUTICALS (US) 2007-02-21 EP disclosed
WO-2005123770-A1 MEDIATORS OF REVERSE CHOLESTEROL TRANSPORT FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA AVANIR PHARMACEUTICALS (US) 2005-12-29 WO disclosed