SCHEMBL4739413

SCHEMBL4739413

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC4CCN(CCOC)CC4)cc3)cc2)c(OC)c1.CCOCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4OC)cc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.49
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FGFR1 P11362 4/20 0.41
PKM P14618 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
ASF1A Q9Y294 1/20 0.39
EGFR P00533 1/20 0.39
KDR P35968 1/20 0.39
MCHR2 Q969V1 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38

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
SCHEMBL4226961 0.99 MCHR1 (0.50) MCHR1SMN1; SMN2NPSR1FGFR1PKM
SCHEMBL4238167 0.96 MCHR1 (0.52) MCHR1SMN1; SMN2NPSR1FGFR1PKM
SCHEMBL4233256 0.94 MCHR1 (0.49) MCHR1SMN1; SMN2NPSR1FGFR1PKM
SCHEMBL4741625 0.91 MCHR1 (0.44) MCHR1SMN1; SMN2NPSR1FGFR1PKM
SCHEMBL4236062 0.91 MCHR1 (0.47) MCHR1SMN1; SMN2NPSR1FGFR1PKM
SCHEMBL4233894 0.91 MCHR1 (0.47) MCHR1SMN1; SMN2NPSR1FGFR1PKM
SCHEMBL4235333 0.91 SMN1; SMN2 (0.52) MCHR1SMN1; SMN2NPSR1FGFR1PKM
SCHEMBL4236975 0.91 MCHR1 (0.47) MCHR1SMN1; SMN2NPSR1FGFR1PKM
SCHEMBL4232443 0.90 FGFR1 (0.49) MCHR1SMN1; SMN2NPSR1FGFR1PKM
SCHEMBL4228574 0.90 MCHR1 (0.46) MCHR1SMN1; SMN2NPSR1FGFR1PKM

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