SCHEMBL4688941

SCHEMBL4688941

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
QPCT Q16769 5/20 0.38
MCHR1 Q99705 4/20 0.38
CTSD P07339 1/20 0.38
MCHR2 Q969V1 1/20 0.37
HTR3A P46098 1/20 0.36
HTR2A P28223 1/20 0.36
PTGIR P43119 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL4686834 0.95 CCR3 (0.43) CCR3SMN1; SMN2NPSR1QPCTMCHR1
SCHEMBL4687180 0.92 CCR3 (0.41) CCR3SMN1; SMN2NPSR1QPCTMCHR1
SCHEMBL4686897 0.90 RAB9A (0.38) CCR3SMN1; SMN2NPSR1QPCTMCHR1
SCHEMBL4240227 0.90 SMN1; SMN2 (0.39) SMN1; SMN2NPSR1MCHR1CTSDMCHR2
SCHEMBL4687360 0.88 CCR3 (0.43) CCR3SMN1; SMN2NPSR1QPCTMCHR1
SCHEMBL4683109 0.87 CCR3 (0.43) CCR3SMN1; SMN2NPSR1QPCTMCHR1
SCHEMBL4688912 0.87 QPCT (0.39) QPCTKDR
SCHEMBL4226786 0.86 SMN1; SMN2 (0.42) CCR3SMN1; SMN2NPSR1MCHR1CTSD
SCHEMBL4683361 0.86 CCR3 (0.43) CCR3SMN1; SMN2NPSR1QPCTMCHR1
SCHEMBL4687404 0.84 MCHR1 (0.47) CCR3SMN1; SMN2NPSR1QPCTMCHR1

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