SCHEMBL4741716

SCHEMBL4741716

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC4CCNCC4)c(CCO)c3)cc2C)cc1F.CCOc1cc(NC(=O)NC(CC)CC)ccc1Oc1ccc(NC(=O)c2ccc(N(C)C3CCN(Cc4ccccc4)CC3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.35
DRD2 P14416 3/20 0.33
ADRA1A P35348 3/20 0.33
GHSR Q92847 1/20 0.33
P2RY1 P47900 1/20 0.32
LTA4H P09960 2/20 0.32
BCL9 O00512 3/20 0.32
CTNNB1 P35222 3/20 0.32
MCHR1 Q99705 2/20 0.31
KIT P10721 2/20 0.31
DDR1 Q08345 1/20 0.31
MLNR O43193 1/20 0.31
ABL1 P00519 1/20 0.31
SLC34A2 O95436 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL4741711 0.92 SSTR5 (0.36) CCR5DRD2ADRA1AGHSRP2RY1
SCHEMBL4687968 0.90 DRD2 (0.37) CCR5DRD2ADRA1AGHSRP2RY1
SCHEMBL4232938 0.83 BCL9 (0.43) BCL9CTNNB1
SCHEMBL4238698 0.82 CCR5 (0.47) CCR5LTA4HMCHR1LMNA
SCHEMBL4741379 0.79 DDR2 (0.34) BCL9CTNNB1
SCHEMBL4744081 0.78 MCHR1 (0.38) CCR5MCHR1
SCHEMBL4238724 0.78 MCHR1 (0.37) DRD2ADRA1ABCL9CTNNB1MCHR1
SCHEMBL4236545 0.77 MCHR1 (0.34) DRD2ADRA1ABCL9CTNNB1MCHR1
SCHEMBL4232410 0.76 PKM (0.39)
SCHEMBL4228379 0.75 MCHR1 (0.41) CCR5MCHR1

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-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed