SCHEMBL4688345

SCHEMBL4688345

CCCCCNC(=O)Nc1ccc(Oc2ccc(NC(=O)c3cc(C)c(OC4CCN(CCCC)CC4)cc3F)cc2)c(OCC)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.46
MAPT P10636 6/20 0.44
TP53 P04637 4/20 0.40
MCHR2 Q969V1 1/20 0.40
MCHR1 Q99705 1/20 0.40
QPCT Q16769 2/20 0.40
KMT2A Q03164 2/20 0.40
FLT1 P17948 4/20 0.39
KDR P35968 4/20 0.39
CCR2 P41597 1/20 0.39
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR2A P28223 1/20 0.38
EPHX2 P34913 1/20 0.38
MET P08581 1/20 0.37

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
SCHEMBL4687195 0.94 CCR3 (0.47) CCR3MAPTTP53MCHR2MCHR1
SCHEMBL4688153 0.93 CCR3 (0.43) CCR3MAPTTP53KMT2AFLT1
SCHEMBL4238849 0.91 CCR3 (0.37) CCR3MAPTTP53MCHR2MCHR1
SCHEMBL4683563 0.89 CCR3 (0.47) CCR3MAPTTP53MCHR2MCHR1
SCHEMBL4687316 0.88 CCR3 (0.36) CCR3MAPTTP53MCHR2MCHR1
SCHEMBL4687903 0.88 CCR3 (0.43) CCR3MAPTMCHR2MCHR1FLT1
SCHEMBL4689332 0.86 CCR3 (0.42) CCR3MAPTMCHR1FLT1KDR
SCHEMBL4683722 0.86 MAPT (0.49) CCR3MAPTTP53MCHR2MCHR1
SCHEMBL4689244 0.85 CCR3 (0.49) CCR3MAPTTP53MCHR2MCHR1
SCHEMBL4234147 0.85 CCR3 (0.38) CCR3MAPTTP53MCHR2MCHR1

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