SCHEMBL4740848

SCHEMBL4740848

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC4CCN(CCCNC5CCOCC5)CC4)cc3)cc2)c(OC)c1.CCCCN1CCC(N(C)c2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4OCC)cc3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.36
EGFR P00533 4/20 0.36
KDR P35968 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MET P08581 2/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
AURKA O14965 1/20 0.35
ROCK2 O75116 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
RET P07949 1/20 0.35
SRC P12931 1/20 0.35
PDGFRA P16234 1/20 0.35
LTK P29376 1/20 0.35
TTK P33981 1/20 0.35
MAP2K2 P36507 1/20 0.35
MAP2K1 Q02750 1/20 0.35
BTK Q06187 1/20 0.35

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
SCHEMBL4238745 0.90 MCHR1 (0.42) MCHR1EGFRKDRSMN1; SMN2NPSR1
SCHEMBL4240513 0.87 MCHR1 (0.40) MCHR1SMN1; SMN2NPSR1MAPTALDH1A1
SCHEMBL4236573 0.86 MCHR1 (0.45) MCHR1EGFRKDRSMN1; SMN2NPSR1
SCHEMBL4787885 0.86 MCHR1 (0.37) MCHR1EGFRKDRSMN1; SMN2NPSR1
SCHEMBL4234129 0.84 MCHR1 (0.42) MCHR1EGFRKDRSMN1; SMN2NPSR1
SCHEMBL4233894 0.84 MCHR1 (0.47) MCHR1EGFRKDRSMN1; SMN2NPSR1
SCHEMBL4236062 0.84 MCHR1 (0.47) MCHR1EGFRKDRSMN1; SMN2NPSR1
SCHEMBL4229397 0.83 MCHR1 (0.44) MCHR1EGFRKDRSMN1; SMN2NPSR1
SCHEMBL4859535 0.82 CSF1R (0.33) MCHR1KDRSMN1; SMN2METMAPT
SCHEMBL4367942 0.82 SMN1; SMN2 (0.40) MCHR1SMN1; SMN2NPSR1METMAPT

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