SCHEMBL4850647

SCHEMBL4850647

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(N)c(F)c2)cc1F.CCCCN1CCC(Oc2ccc(C(=O)N3CCCOc4cc(Oc5ccc(NC(=O)NC(CC)CC)cc5OC)ccc43)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.35
FLT1 P17948 5/20 0.35
FLT4 P35916 5/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MET P08581 4/20 0.33
LCK P06239 3/20 0.33
HTR4 Q13639 2/20 0.33
TEK Q02763 2/20 0.33
CCR3 P51677 1/20 0.33
ADRB2 P07550 1/20 0.33
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR1D P28221 1/20 0.32
ADRA1B P35368 1/20 0.32
HTR2B P41595 1/20 0.32
HTR3A P46098 1/20 0.32
TAS1R3 Q7RTX0 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
SCHEMBL4226703 0.92 SMN1; SMN2 (0.39) KDRSMN1; SMN2NPSR1METLCK
SCHEMBL4242226 0.83 SMN1; SMN2 (0.43) KDRFLT1FLT4SMN1; SMN2NPSR1
SCHEMBL4233984 0.82 KDR (0.38) KDRCCR3
SCHEMBL4233515 0.81 HTR4 (0.43) KDRMETLCKHTR4ADRB2
SCHEMBL4237062 0.81 SMN1; SMN2 (0.42) SMN1; SMN2NPSR1MCHR1FGFR1
SCHEMBL4238135 0.78 SMN1; SMN2 (0.41) KDRFLT1FLT4SMN1; SMN2NPSR1
SCHEMBL4888299 0.78 MCHR1 (0.37) KDRSMN1; SMN2NPSR1CCR3MCHR1
SCHEMBL4229610 0.78 CCR3 (0.41) KDRFLT1FLT4SMN1; SMN2NPSR1
SCHEMBL4229335 0.78 KMT2A (0.37) KDRMETLCKHTR4ADRB2
SCHEMBL4686817 0.77 KDR (0.40) KDRFLT1FLT4SMN1; 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 claimed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO claimed