SCHEMBL4687977

SCHEMBL4687977

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC4CCNCC4)cc3)cc2)c(OC)c1.CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC4CCNCC4)cc3)cc2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAMPT P43490 2/20 0.42
PGR P06401 1/20 0.42
AR P10275 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
MCHR1 Q99705 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
FGFR1 P11362 1/20 0.39
TOP2A P11388 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
SCHEMBL4233405 0.97 NPC1 (0.44) PKMRAB9ANPC1ALDH1A1TP53
SCHEMBL4236654 0.96 PKM (0.47) PKMRAB9ANPC1ALDH1A1TP53
SCHEMBL4228647 0.95 PKM (0.43) PKMRAB9ANPC1SMN1; SMN2NAMPT
SCHEMBL13699433 0.87 PKM (0.47) PKMRAB9ANPC1ALDH1A1TP53
SCHEMBL4234174 0.87 PKM (0.43) PKMTAS1R3TAS1R1TOP2A
SCHEMBL4229212 0.86 MCHR1 (0.51) PKMRAB9ANPC1ALDH1A1TP53
SCHEMBL4235406 0.85 HRH3 (0.46) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL4232733 0.85 PKM (0.45) PKMRAB9ANPC1ALDH1A1TP53
SCHEMBL13699303 0.85 PKM (0.45) PKMRAB9ANPC1ALDH1A1TP53
SCHEMBL13699330 0.85 PKM (0.45) PKMRAB9ANPC1ALDH1A1TP53

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