SCHEMBL4688728

SCHEMBL4688728

CCCCCNC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC4CCN(CCCC)CC4)c(OC)c3)cc2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.47
MCHR2 Q969V1 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTR4 Q13639 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
QPCT Q16769 2/20 0.45
CCR3 P51677 1/20 0.45
SLC5A7 Q9GZV3 1/20 0.44
HTR3A P46098 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL4683061 0.95 MCHR1 (0.45) MCHR1MCHR2SMN1; SMN2NPSR1HTR4
SCHEMBL4689248 0.94 MCHR1 (0.45) MCHR1MCHR2SMN1; SMN2NPSR1HTR4
SCHEMBL4683393 0.90 FGFR1 (0.48) MCHR1MCHR2SMN1; SMN2NPSR1MEN1
SCHEMBL4236698 0.89 SMN1; SMN2 (0.46) MCHR1MCHR2SMN1; SMN2NPSR1HTR4
SCHEMBL4683722 0.89 MAPT (0.49) MCHR1MCHR2SMN1; SMN2NPSR1MEN1
SCHEMBL4690097 0.89 CCR3 (0.45) MCHR1MCHR2HTR4MEN1KMT2A
SCHEMBL4683789 0.89 MEN1 (0.44) MCHR1MCHR2HTR4MEN1KMT2A
SCHEMBL4687404 0.88 MCHR1 (0.47) MCHR1MCHR2SMN1; SMN2NPSR1MEN1
SCHEMBL4683563 0.88 CCR3 (0.47) MCHR1MCHR2SMN1; SMN2NPSR1QPCT
SCHEMBL4684519 0.88 MAPT (0.45) MCHR1MCHR2SMN1; SMN2HTR4CCR3

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