SCHEMBL4687968

SCHEMBL4687968

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC4CCN(Cc5ccccc5)CC4)cc3)cc2C)cc1.CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC4CCNCC4)c(CCO)c3)cc2C)cc1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.37
ADRA1A P35348 3/20 0.37
GHSR Q92847 1/20 0.36
BCL9 O00512 5/20 0.35
CTNNB1 P35222 5/20 0.35
MCHR1 Q99705 4/20 0.35
GSK3B P49841 1/20 0.35
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
P2RY1 P47900 1/20 0.35
ACKR3 P25106 1/20 0.34
CCR5 P51681 1/20 0.34
MCHR2 Q969V1 1/20 0.34
UTS2R Q9UKP6 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
SCHEMBL4741711 0.91 SSTR5 (0.36) DRD2ADRA1AGHSRBCL9CTNNB1
SCHEMBL4741716 0.90 CCR5 (0.35) DRD2ADRA1AGHSRBCL9CTNNB1
SCHEMBL4232938 0.89 BCL9 (0.43) BCL9CTNNB1
SCHEMBL4229322 0.84 MCHR1 (0.46) MCHR1GSK3BKITFLT3ACKR3
SCHEMBL4238724 0.84 MCHR1 (0.37) DRD2ADRA1ABCL9CTNNB1MCHR1
SCHEMBL4236545 0.84 MCHR1 (0.34) DRD2ADRA1ABCL9CTNNB1MCHR1
SCHEMBL4741586 0.82 MCHR1 (0.42) DRD2MCHR1GSK3BKITFLT3
SCHEMBL4242203 0.79 ACKR3 (0.42) MCHR1GSK3BACKR3CCR5
SCHEMBL4228647 0.79 PKM (0.43) BCL9CTNNB1GSK3BFLT3
SCHEMBL4228632 0.79 MCHR1 (0.39) DRD2MCHR1

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