SCHEMBL4728847

SCHEMBL4728847

CC(=O)c1ccc2c3ccccc3n(CCCN3CCN(C)CC3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.57
HTR7 P34969 2/20 0.52
DRD3 P35462 1/20 0.51
ABCB1 P08183 2/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL14292119 0.83 ALDH1A1 (0.56) CNR2ALDH1A1HPGD
SCHEMBL4727961 0.83 DRD3 (0.69) CNR2HTR7DRD3ABCB1MEN1
SCHEMBL28007695 0.82 CNR2 (0.60) CNR2ALDH1A1HPGD
SCHEMBL17444689 0.82 CNR2 (0.61) CNR2MEN1KMT2ASIGMAR1
SCHEMBL4729412 0.82 SIGMAR1 (0.72) CNR2MEN1KMT2AALDH1A1HPGD
SCHEMBL4727196 0.81 CNR2 (0.57) CNR2ALDH1A1HPGD
SCHEMBL13305298 0.80 DRD3 (0.65) CNR2HTR7DRD3ABCB1TMEM97
SCHEMBL28007691 0.80 CNR2 (0.64) CNR2
SCHEMBL28007398 0.80 CNR2 (0.64) CNR2
SCHEMBL17444718 0.79 CNR2 (0.57) CNR2MEN1KMT2A

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
WO-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed
WO-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed