SCHEMBL4745676

SCHEMBL4745676

CCCCN1CCC(Oc2cc(F)c(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4OC)cc3)cc2F)CC1.CCOCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4cc(F)c(NC(=O)NC(CC)CC)cc4OC)cc3)cc2C)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.37
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RAF1 P04049 1/20 0.33
ERBB2 P04626 1/20 0.33
KMT2A Q03164 2/20 0.33
MCHR2 Q969V1 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
MET P08581 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4232148 0.92 MCHR1 (0.40) MCHR1MAPTLMNA
SCHEMBL4233744 0.90 MAPT (0.39) MCHR1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL4683749 0.89 LMNA (0.39) MCHR1MAPTLMNAERBB2KMT2A
SCHEMBL4229412 0.89 TAS1R3 (0.40) MCHR1SMN1; SMN2NPSR1MCHR2FLT1
SCHEMBL4683015 0.89 SMN1; SMN2 (0.37) MCHR1MAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL4237351 0.88 LMNA (0.39) MCHR1MAPTLMNAERBB2KMT2A
SCHEMBL4233399 0.88 SMN1; SMN2 (0.43) MCHR1MAPTSMN1; SMN2NPSR1RAF1
SCHEMBL4236270 0.87 MCHR1 (0.39) MCHR1MAPTLMNAERBB2FLT1
SCHEMBL4236747 0.87 TAS1R3 (0.39) MCHR1SMN1; SMN2NPSR1MCHR2FLT1
SCHEMBL4236713 0.87 MCHR1 (0.41) MCHR1MAPTLMNA

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