SCHEMBL4687152

SCHEMBL4687152

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC45CCCC(CC4)N5C(C)C)cc3)cc2)c(OC)c1.CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC45CCCC(CC4)N5CCCO)cc3)cc2)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.39
PKM P14618 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NAMPT P43490 2/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
FGFR1 P11362 1/20 0.34
MCHR2 Q969V1 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
SCHEMBL4236549 0.96 MCHR1 (0.42) MCHR1PKMRAB9ANPC1ALDH1A1
SCHEMBL4228643 0.94 MCHR1 (0.42) MCHR1PKMRAB9ANPC1ALDH1A1
SCHEMBL4228419 0.93 MCHR1 (0.41) MCHR1PKMRAB9ANPC1ALDH1A1
SCHEMBL4229361 0.92 MCHR1 (0.42) MCHR1PKMRAB9ANPC1ALDH1A1
SCHEMBL4228607 0.91 MCHR1 (0.42) MCHR1PKMRAB9ANPC1ALDH1A1
SCHEMBL4229231 0.90 MCHR1 (0.43) MCHR1PKMRAB9ANPC1ALDH1A1
SCHEMBL4233531 0.89 MCHR1 (0.44) MCHR1PKMRAB9ANPC1ALDH1A1
SCHEMBL4240029 0.89 MCHR1 (0.43) MCHR1PKMRAB9ANPC1ALDH1A1
SCHEMBL4238107 0.89 MCHR1 (0.42) MCHR1PKMRAB9ANPC1ALDH1A1
SCHEMBL4234121 0.88 MCHR1 (0.41) MCHR1PKMRAB9ANPC1ALDH1A1

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