SCHEMBL7258292

SCHEMBL7258292

NC(=O)c1cccc(C2CCN(CC3CCc4cc(NC(=O)Nc5ccccc5)ccc4C3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.48
MCHR1 Q99705 5/20 0.47
PARP14 Q460N5 3/20 0.46
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
OPRK1 P41145 1/20 0.40
BTK Q06187 1/20 0.40
CCR5 P51681 1/20 0.40
F10 P00742 1/20 0.40
HPN P05981 1/20 0.40
PRSS1 P07477 1/20 0.40

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
SCHEMBL7254582 0.94 MCHR1 (0.57) DGAT1MCHR1PARP14DRD2OPRK1
SCHEMBL7260684 0.90 DGAT1 (0.56) DGAT1MCHR1ITGB3ITGA2BMEN1
SCHEMBL7258422 0.89 DGAT1 (0.51) DGAT1MCHR1MEN1NPC1RAB9A
SCHEMBL7260492 0.88 MCHR1 (0.50) DGAT1MCHR1MEN1NPC1RAB9A
SCHEMBL7260631 0.85 MCHR1 (0.54) DGAT1MCHR1NPC1RAB9ADRD2
SCHEMBL7255523 0.85 CCR3 (0.50) DGAT1MCHR1MEN1KMT2A
SCHEMBL7258373 0.83 MCHR1 (0.60) DGAT1MCHR1DRD2
SCHEMBL7255884 0.82 MCHR1 (0.59) DGAT1MCHR1DRD2DRD4
SCHEMBL7258396 0.82 DGAT1 (0.60) DGAT1MCHR1ITGB3ITGA2BMEN1
SCHEMBL7255916 0.82 MCHR1 (0.61) DGAT1MCHR1NPC1RAB9ADRD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003087046-A1 NOVEL AMINOTETRALINE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS 7TM PHARMA A/S (DK) 2003-10-23 WO disclosed