SCHEMBL4683530

SCHEMBL4683530

CCC(CC)NC(=O)Nc1cccc(Oc2ccc(NC(=O)c3cccc(OC4CCN(C(C)C)C(I)C4)c3)cc2COC)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.37
PGR P06401 1/20 0.35
AR P10275 1/20 0.35
BRAF P15056 4/20 0.35
MCHR1 Q99705 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4233751 0.89 SLC5A7 (0.44) OPRK1PGRAR
SCHEMBL13699306 0.85 SLC5A7 (0.44) OPRK1PGRAR
SCHEMBL4236439 0.80 SLC5A7 (0.45) OPRK1PGRARBRAF
SCHEMBL4684561 0.78 SLC5A7 (0.44) OPRK1NPC1RAB9A
SCHEMBL4233481 0.77 HRH3 (0.47)
SCHEMBL4238765 0.77 HRH3 (0.47)
SCHEMBL4238304 0.77 SLC5A7 (0.41)
SCHEMBL4232714 0.76 SLC5A7 (0.45) PGRARMCHR1
SCHEMBL4683501 0.74 HRH3 (0.43) MCHR1NPC1ALDH1A1TP53RAB9A
SCHEMBL4232082 0.74 HRH3 (0.45)

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