SCHEMBL4683501

SCHEMBL4683501

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC4CCN(C(C)C)CC4)cc3)cc2COC)cc1.CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC4CCN(C(C)C)CC4)cc3)cc2OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.43
PKM P14618 1/20 0.40
MCHR1 Q99705 3/20 0.40
SLC5A7 Q9GZV3 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CSF1R P07333 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL4233481 0.96 HRH3 (0.47) HRH3PKMSLC5A7POLBCSF1R
SCHEMBL4238765 0.96 HRH3 (0.47) HRH3PKMSLC5A7POLBCSF1R
SCHEMBL4743227 0.96 HRH3 (0.40) HRH3PKMMCHR1SLC5A7POLB
SCHEMBL4233292 0.95 HRH3 (0.48) HRH3PKMMCHR1SLC5A7POLB
SCHEMBL4236845 0.95 HRH3 (0.48) HRH3PKMMCHR1SLC5A7POLB
SCHEMBL4234320 0.92 HRH3 (0.48) HRH3PKMSLC5A7POLBNPC1
SCHEMBL4231912 0.90 PKM (0.45) HRH3PKMMCHR1NPC1ALDH1A1
SCHEMBL4232082 0.90 HRH3 (0.45) HRH3SLC5A7CSF1RFLT3
SCHEMBL13699306 0.89 SLC5A7 (0.44) HRH3PKMSLC5A7CSF1RFLT3
SCHEMBL4235406 0.88 HRH3 (0.46) HRH3MCHR1SLC5A7NPC1ALDH1A1

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