SCHEMBL7651286

SCHEMBL7651286

COc1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.73
TRPV1 Q8NER1 2/20 0.53
GCGR P47871 1/20 0.53
BCHE P06276 5/20 0.52
ACHE P22303 4/20 0.52
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
MCHR1 Q99705 7/20 0.51
HTR2C P28335 1/20 0.51
HDAC1 Q13547 1/20 0.50
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
EGFR P00533 1/20 0.49

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
SCHEMBL7618033 1.00 SLC2A1 (0.73) SLC2A1TRPV1GCGRBCHEACHE
SCHEMBL7612936 0.95 SLC2A1 (0.66) SLC2A1TRPV1GCGRBCHEACHE
SCHEMBL7612941 0.95 SLC2A1 (0.66) SLC2A1TRPV1GCGRBCHEACHE
SCHEMBL7615429 0.92 SLC2A1 (0.73) SLC2A1TRPV1BCHEACHETP53
SCHEMBL7615423 0.92 SLC2A1 (0.73) SLC2A1TRPV1BCHEACHETP53
SCHEMBL7655086 0.90 SLC2A1 (0.73) SLC2A1TRPV1BCHEACHETP53
SCHEMBL7655078 0.90 SLC2A1 (0.73) SLC2A1TRPV1BCHEACHETP53
SCHEMBL7605745 0.90 SLC2A1 (0.73) SLC2A1TRPV1BCHEACHETP53
SCHEMBL7605747 0.90 SLC2A1 (0.73) SLC2A1TRPV1BCHEACHETP53
SCHEMBL7613669 0.90 SLC2A1 (0.81) SLC2A1BCHEACHEMCHR1HTR2C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100495-A4 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORP (US) 2002-09-25 EP claimed
JP-2002521441-A 2002-07-16 JP claimed
EP-1100495-A1 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-23 EP claimed
WO-2000006153-A1 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO claimed