SCHEMBL4683022

SCHEMBL4683022

CCCCCNC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(N(CCCC)C4CCNCC4)cc3)cc2)c(OCC)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.40
TRPV1 Q8NER1 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NAMPT P43490 1/20 0.37
EPHX1 P07099 1/20 0.37
KDR P35968 1/20 0.37
FGFR1 P11362 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
MCL1 Q07820 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4683524 0.95 MCHR1 (0.41) MCHR1ALDH1A1MAPTLMNAKMT2A
SCHEMBL4687113 0.91 KMT2A (0.43) MCHR1ALDH1A1MAPTKMT2AMEN1
SCHEMBL4683021 0.90 TRPV1 (0.37) MCHR1TRPV1ALDH1A1MAPTKMT2A
SCHEMBL4683520 0.82 PKM (0.39) MCHR1ALDH1A1MAPTLMNAKMT2A
SCHEMBL4688079 0.81 MAPT (0.42) MCHR1ALDH1A1MAPTLMNAKMT2A
SCHEMBL4683459 0.80 MAPT (0.45) MCHR1ALDH1A1MAPTKMT2AMEN1
SCHEMBL4687107 0.79 MAPT (0.41) MCHR1MAPTKMT2AMEN1RAB9A
SCHEMBL4232410 0.78 PKM (0.39) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL4684667 0.78 TOP2A (0.44) ALDH1A1MAPTKMT2AMEN1NAMPT
SCHEMBL4686821 0.78 CHRM4 (0.48) MCHR1ALDH1A1MAPTLMNAKMT2A

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