SCHEMBL7260317

SCHEMBL7260317

O=C(Nc1ccccc1)Nc1ccc2c(c1)CCC(CN1CCN(Cc3ccccc3)CC1)C2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.63
HTR1A P08908 2/20 0.63
DGAT1 O75907 1/20 0.56
ALDH1A1 P00352 2/20 0.53
MCHR1 Q99705 1/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
POLB P06746 2/20 0.53
TP53 P04637 1/20 0.53
KMT2A Q03164 3/20 0.52
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
MEN1 O00255 1/20 0.49
CCR3 P51677 2/20 0.48
DCUN1D1 Q96GG9 1/20 0.48
FAAH O00519 2/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL7258523 0.93 MCHR1 (0.65) SIGMAR1HTR1ADGAT1ALDH1A1MCHR1
SCHEMBL7254624 0.90 DGAT1 (0.58) SIGMAR1HTR1ADGAT1MCHR1NPC1
SCHEMBL7258396 0.89 DGAT1 (0.60) SIGMAR1HTR1ADGAT1ALDH1A1MCHR1
SCHEMBL7255512 0.87 DGAT1 (0.57) DGAT1ALDH1A1MCHR1NPC1RAB9A
SCHEMBL7260684 0.86 DGAT1 (0.56) SIGMAR1HTR1ADGAT1MCHR1NPC1
SCHEMBL7254689 0.82 MCHR1 (0.70) SIGMAR1DGAT1MCHR1
SCHEMBL7260492 0.82 MCHR1 (0.50) SIGMAR1HTR1ADGAT1MCHR1NPC1
SCHEMBL7255582 0.82 MCHR1 (0.69) SIGMAR1DGAT1ALDH1A1MCHR1NPC1
SCHEMBL7258185 0.81 MCHR1 (0.68) SIGMAR1DGAT1ALDH1A1MCHR1NPC1
SCHEMBL7258422 0.81 DGAT1 (0.51) SIGMAR1HTR1ADGAT1MCHR1NPC1

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