SCHEMBL14068258

SCHEMBL14068258

CC(NC(=O)N(CCCN1CCOCC1)C(C)C)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.52
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
ALDH1A1 P00352 4/20 0.48
USP2 O75604 4/20 0.48
PKM P14618 1/20 0.48
RECQL P46063 1/20 0.47
GAA P10253 2/20 0.46
CCR4 P51679 2/20 0.46
TSHR P16473 1/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MAPT P10636 1/20 0.43
SSTR4 P31391 1/20 0.43

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
SCHEMBL14025153 1.00 NPSR1 (0.52) NPSR1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL14045749 0.89 NPSR1 (0.55) NPSR1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL14045752 0.87 NPSR1 (0.56) NPSR1ALDH1A1USP2PKMRECQL
SCHEMBL14025171 0.87 NPSR1 (0.50) NPSR1ALDH1A1USP2PKMRECQL
SCHEMBL4924392 0.83 NPSR1 (0.53) NPSR1OPRM1OPRD1ALDH1A1USP2
SCHEMBL4924403 0.83 NPSR1 (0.53) NPSR1OPRM1OPRD1ALDH1A1USP2
SCHEMBL14067958 0.83 NPSR1 (0.53) NPSR1OPRM1OPRD1ALDH1A1USP2
SCHEMBL4922803 0.82 NPSR1 (0.52) NPSR1OPRM1OPRD1TSHRMEN1
SCHEMBL4922817 0.82 NPSR1 (0.52) NPSR1OPRM1OPRD1TSHRMEN1
SCHEMBL14025001 0.81 NPSR1 (0.51) NPSR1OPRM1OPRD1ALDH1A1TSHR

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-2008109154-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS, INC. (US) 2008-09-12 WO disclosed