SCHEMBL4745919

SCHEMBL4745919

CCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4)cc3F)cc2)CC1.CCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4)cc3OC)cc2C)CC1.CCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4OC)cc3)cc2C(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.38
FLT1 P17948 2/20 0.38
FLT4 P35916 2/20 0.38
BRAF P15056 6/20 0.37
ABL1 P00519 5/20 0.37
KIT P10721 5/20 0.37
RAF1 P04049 4/20 0.37
ARAF P10398 2/20 0.37
MAPK14 Q16539 1/20 0.37
MCHR1 Q99705 1/20 0.36
FGFR1 P11362 2/20 0.36
DDR1 Q08345 2/20 0.36
LCK P06239 1/20 0.36
CSF1R P07333 1/20 0.36
PDGFRB P09619 1/20 0.36
BLK P51451 1/20 0.36
DDR2 Q16832 1/20 0.36

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
SCHEMBL4686817 0.96 KDR (0.40) KDRFLT1FLT4BRAFABL1
SCHEMBL4238135 0.91 SMN1; SMN2 (0.41) KDRFLT1FLT4MCHR1FGFR1
SCHEMBL4233858 0.89 SMN1; SMN2 (0.42) KDRBRAFABL1KITRAF1
SCHEMBL4242226 0.88 SMN1; SMN2 (0.43) KDRFLT1FLT4MCHR1FGFR1
SCHEMBL4229188 0.88 MCHR1 (0.40) KDRFLT1FLT4MCHR1
SCHEMBL4236281 0.87 TAS1R3 (0.45) MCHR1
SCHEMBL4233470 0.86 MCHR1 (0.40) KDRFLT1FLT4MCHR1
SCHEMBL4233219 0.86 SMN1; SMN2 (0.44) MCHR1
SCHEMBL4799376 0.86 ERBB2 (0.35) KDRFLT1FLT4MCHR1FGFR1
SCHEMBL4240643 0.86 PDE4D (0.42) KDRFLT1FLT4MCHR1

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