SCHEMBL4687360

SCHEMBL4687360

CCCCCNC(=O)Nc1ccc(Oc2ccc(N(CCOC)C(=O)c3ccc(OC4CCN(CCCC)CC4)cc3)cc2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MCHR1 Q99705 5/20 0.41
MCHR2 Q969V1 1/20 0.41
QPCT Q16769 4/20 0.39
PTGIR P43119 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR3A P46098 1/20 0.38
HTR4 Q13639 1/20 0.38
HTR2A P28223 1/20 0.38
LMNA P02545 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
DRD2 P14416 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
SCHEMBL4683109 0.97 CCR3 (0.43) CCR3SMN1; SMN2NPSR1MCHR1MCHR2
SCHEMBL4687180 0.96 CCR3 (0.41) CCR3SMN1; SMN2NPSR1MCHR1MCHR2
SCHEMBL4688218 0.95 CCR3 (0.43) CCR3SMN1; SMN2NPSR1MCHR1MCHR2
SCHEMBL4683361 0.92 CCR3 (0.43) CCR3SMN1; SMN2NPSR1MCHR1MCHR2
SCHEMBL4686834 0.91 CCR3 (0.43) CCR3SMN1; SMN2NPSR1MCHR1MCHR2
SCHEMBL4228512 0.90 SMN1; SMN2 (0.41) SMN1; SMN2NPSR1MCHR1MCHR2PTGIR
SCHEMBL4686644 0.90 MEN1 (0.40) MCHR1QPCTMEN1GAAMAPT
SCHEMBL4688941 0.88 CCR3 (0.41) CCR3SMN1; SMN2NPSR1MCHR1MCHR2
SCHEMBL4683447 0.87 CCR3 (0.41) CCR3SMN1; SMN2NPSR1MCHR1MCHR2
SCHEMBL4226836 0.87 SMN1; SMN2 (0.41) SMN1; SMN2NPSR1MCHR1MCHR2PTGIR

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 claimed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO claimed