SCHEMBL4686897

SCHEMBL4686897

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.38
QPCT Q16769 2/20 0.38
PDE4A P27815 2/20 0.37
CCR3 P51677 1/20 0.37
KDR P35968 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
F10 P00742 3/20 0.36
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MCHR1 Q99705 2/20 0.35
MCHR2 Q969V1 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 0.92 CCR3 (0.43) QPCTCCR3KDRMEN1KMT2A
SCHEMBL4688941 0.90 CCR3 (0.41) QPCTCCR3KDRSMN1; SMN2NPSR1
SCHEMBL4688912 0.90 QPCT (0.39) QPCTPDE4AKDRMEN1KMT2A
SCHEMBL4226786 0.83 SMN1; SMN2 (0.42) CCR3MEN1KMT2AGAAMAPT
SCHEMBL4687360 0.83 CCR3 (0.43) QPCTCCR3MEN1KMT2AGAA
SCHEMBL4683109 0.82 CCR3 (0.43) QPCTCCR3MEN1KMT2AGAA
SCHEMBL4687180 0.82 CCR3 (0.41) QPCTCCR3MEN1KMT2AGAA
SCHEMBL4683361 0.81 CCR3 (0.43) QPCTCCR3KDRSMN1; SMN2NPSR1
SCHEMBL4686644 0.80 MEN1 (0.40) QPCTPDE4AKDRMEN1KMT2A
SCHEMBL4240227 0.80 SMN1; SMN2 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2NPSR1

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