SCHEMBL4741711

SCHEMBL4741711

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC4CCNCC4)c(CCO)c3)cc2C)cc1F.CCOc1cc(NC(=O)NC(CC)CC)ccc1Oc1ccc(NC(=O)c2ccc(NCC3CCN(Cc4ccccc4)CC3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.36
P2RY1 P47900 1/20 0.35
DRD2 P14416 3/20 0.33
ADRA1A P35348 3/20 0.33
GHSR Q92847 1/20 0.33
CHRM4 P08173 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ACHE P22303 2/20 0.32
BACE1 P56817 2/20 0.32
CCR5 P51681 2/20 0.32
BCL9 O00512 1/20 0.32
CTNNB1 P35222 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
MCHR1 Q99705 1/20 0.32
KIT P10721 1/20 0.32
UTS2R Q9UKP6 1/20 0.32
CCR3 P51677 1/20 0.32

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
SCHEMBL4741716 0.92 CCR5 (0.35) P2RY1DRD2ADRA1AGHSRCCR5
SCHEMBL4687968 0.91 DRD2 (0.37) P2RY1DRD2ADRA1AGHSRCCR5
SCHEMBL4232938 0.84 BCL9 (0.43) BCL9CTNNB1
SCHEMBL4238693 0.82 CHRM4 (0.47) SSTR5CHRM4SMN1; SMN2ACHEBACE1
SCHEMBL4238724 0.78 MCHR1 (0.37) DRD2ADRA1ABCL9CTNNB1MEN1
SCHEMBL4236545 0.78 MCHR1 (0.34) DRD2ADRA1ABCL9CTNNB1MCHR1
SCHEMBL4229322 0.76 MCHR1 (0.46) CHRM4SMN1; SMN2CCR5LMNAKMT2A
SCHEMBL4234367 0.75 SSTR5 (0.42) SSTR5MEN1KMT2AMCHR1
SCHEMBL4236879 0.74 TAS1R3 (0.42) SMN1; SMN2MCHR1KIT
SCHEMBL4235427 0.74 TAS1R3 (0.40) MEN1KMT2AMCHR1CCR3

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