SCHEMBL4683906

SCHEMBL4683906

CCCCN1CCC(N(C)c2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)c(F)c4)cc3)cc2)CC1.CCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4OC)cc3)c(Cl)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.36
FLT1 P17948 12/20 0.36
FLT4 P35916 12/20 0.36
MCHR1 Q99705 2/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
RAF1 P04049 1/20 0.35
MCHR2 Q969V1 1/20 0.34
FGFR1 P11362 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL4683904 0.91 MCHR1 (0.36) KDRFLT1FLT4MCHR1MCHR2
SCHEMBL4233974 0.86 SMN1; SMN2 (0.44) KDRMCHR1UBE2MDCUN1D1MCHR2
SCHEMBL4236573 0.85 MCHR1 (0.45) KDRMCHR1RAF1MCHR2SMN1; SMN2
SCHEMBL4228593 0.85 PKM (0.39) KDRFLT1FLT4UBE2MDCUN1D1
SCHEMBL4242226 0.85 SMN1; SMN2 (0.43) KDRFLT1FLT4MCHR1FGFR1
SCHEMBL4232419 0.84 TAS1R3 (0.39) KDRFLT1FLT4MCHR1UBE2M
SCHEMBL4234061 0.84 SMN1; SMN2 (0.44) MCHR1MCHR2SMN1; SMN2NPSR1
SCHEMBL4686817 0.83 KDR (0.40) KDRFLT1FLT4MCHR1UBE2M
SCHEMBL4240272 0.82 LMNA (0.42) KDRFLT1FLT4MCHR1
SCHEMBL4233894 0.82 MCHR1 (0.47) KDRMCHR1MCHR2FGFR1SMN1; SMN2

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