SCHEMBL7260684

SCHEMBL7260684

O=C(Nc1ccccc1)Nc1ccc2c(c1)CCC(CN1CCC(c3ccccc3)CC1)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.56
MCHR1 Q99705 5/20 0.53
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CCR5 P51681 1/20 0.48
OPRL1 P41146 1/20 0.47
KCNH2 Q12809 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
SIGMAR1 Q99720 3/20 0.45
HTR1A P08908 2/20 0.45
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL7258422 0.93 DGAT1 (0.51) DGAT1MCHR1NPC1RAB9AMEN1
SCHEMBL7260492 0.92 MCHR1 (0.50) DGAT1MCHR1NPC1RAB9AMEN1
SCHEMBL7258292 0.90 DGAT1 (0.48) DGAT1MCHR1NPC1RAB9AMEN1
SCHEMBL7258396 0.89 DGAT1 (0.60) DGAT1MCHR1NPC1RAB9AMEN1
SCHEMBL7260631 0.89 MCHR1 (0.54) DGAT1MCHR1NPC1RAB9ADRD2
SCHEMBL7255523 0.89 CCR3 (0.50) DGAT1MCHR1MEN1KMT2A
SCHEMBL7254624 0.88 DGAT1 (0.58) DGAT1MCHR1NPC1RAB9AMEN1
SCHEMBL7255512 0.87 DGAT1 (0.57) DGAT1MCHR1NPC1RAB9AMEN1
SCHEMBL7258373 0.86 MCHR1 (0.60) DGAT1MCHR1DRD2SIGMAR1
SCHEMBL7255884 0.86 MCHR1 (0.59) DGAT1MCHR1KCNH2DRD2DRD4

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