SCHEMBL7258396

SCHEMBL7258396

O=C(Nc1ccccc1)Nc1ccc2c(c1)CCC(CN1CCCC1)C2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.60
MCHR1 Q99705 4/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TP53 P04637 1/20 0.51
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
SIGMAR1 Q99720 3/20 0.46
HTR1A P08908 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
RECQL P46063 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL7255582 0.92 MCHR1 (0.69) DGAT1MCHR1NPC1RAB9AMEN1
SCHEMBL7254624 0.91 DGAT1 (0.58) DGAT1MCHR1NPC1RAB9AMEN1
SCHEMBL7258185 0.91 MCHR1 (0.68) DGAT1MCHR1NPC1RAB9AMEN1
SCHEMBL7255512 0.90 DGAT1 (0.57) DGAT1MCHR1NPC1RAB9AMEN1
SCHEMBL7260684 0.89 DGAT1 (0.56) DGAT1MCHR1NPC1RAB9AMEN1
SCHEMBL7260317 0.89 SIGMAR1 (0.63) DGAT1MCHR1NPC1RAB9AMEN1
SCHEMBL7258422 0.84 DGAT1 (0.51) DGAT1MCHR1NPC1RAB9AMEN1
SCHEMBL5583048 0.84 MCHR1 (0.69) DGAT1MCHR1NPC1RAB9ATP53
SCHEMBL7254689 0.84 MCHR1 (0.70) DGAT1MCHR1SIGMAR1SMN1; SMN2LMNA
SCHEMBL7260492 0.84 MCHR1 (0.50) DGAT1MCHR1NPC1RAB9AMEN1

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