SCHEMBL4683904

SCHEMBL4683904

CCCCN1CCC(CNc2ccc(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 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.36
FLT1 P17948 12/20 0.36
FLT4 P35916 12/20 0.36
KDR P35968 12/20 0.36
MCHR2 Q969V1 1/20 0.35
HTR4 Q13639 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FGFR1 P11362 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
SCHEMBL4683906 0.91 KDR (0.36) MCHR1FLT1FLT4KDRMCHR2
SCHEMBL4233974 0.87 SMN1; SMN2 (0.44) MCHR1KDRMCHR2HTR4SMN1; SMN2
SCHEMBL4242226 0.86 SMN1; SMN2 (0.43) MCHR1FLT1FLT4KDRSMN1; SMN2
SCHEMBL4236569 0.85 MCHR1 (0.46) MCHR1KDRMCHR2HTR4SMN1; SMN2
SCHEMBL4228587 0.85 PKM (0.40) FLT1FLT4KDRHTR4
SCHEMBL4234061 0.84 SMN1; SMN2 (0.44) MCHR1MCHR2HTR4SMN1; SMN2NPSR1
SCHEMBL4240272 0.83 LMNA (0.42) MCHR1FLT1FLT4KDRHTR4
SCHEMBL4232415 0.83 HTR4 (0.43) MCHR1FLT1FLT4KDRHTR4
SCHEMBL4686817 0.83 KDR (0.40) MCHR1FLT1FLT4KDRSMN1; SMN2
SCHEMBL4236062 0.82 MCHR1 (0.47) MCHR1KDRMCHR2HTR4SMN1; 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