SCHEMBL4743493

SCHEMBL4743493

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC4CCN(CCC(C)C)CC4)cc3)cc2)c(OC)c1.CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC4CCN(CCCO)CC4)cc3)cc2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.44
FGFR1 P11362 5/20 0.42
NAMPT P43490 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MCHR2 Q969V1 1/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
EGFR P00533 1/20 0.37
KDR P35968 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL4228122 0.96 MCHR1 (0.47) MCHR1FGFR1NAMPTSMN1; SMN2NPSR1
SCHEMBL4236975 0.96 MCHR1 (0.47) MCHR1FGFR1SMN1; SMN2NPSR1MCHR2
SCHEMBL4228574 0.94 MCHR1 (0.46) MCHR1FGFR1SMN1; SMN2NPSR1MCHR2
Acetic Acid SCHEMBL4687292 0.92 MCHR1 (0.46) MCHR1FGFR1SMN1; SMN2NPSR1MCHR2
SCHEMBL4232443 0.92 FGFR1 (0.49) MCHR1FGFR1SMN1; SMN2NPSR1PKM
SCHEMBL4233894 0.91 MCHR1 (0.47) MCHR1FGFR1SMN1; SMN2NPSR1MCHR2
SCHEMBL4236062 0.91 MCHR1 (0.47) MCHR1FGFR1SMN1; SMN2NPSR1MCHR2
SCHEMBL4233256 0.90 MCHR1 (0.49) MCHR1FGFR1SMN1; SMN2NPSR1MCHR2
SCHEMBL4234050 0.90 MCHR1 (0.43) MCHR1FGFR1NAMPTSMN1; SMN2NPSR1
SCHEMBL4238883 0.90 MCHR1 (0.43) MCHR1FGFR1NAMPTSMN1; 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