SCHEMBL7254689

SCHEMBL7254689

CN1CCN(CC2CCc3cc(NC(=O)Nc4ccc(Oc5ccccc5)cc4)ccc3C2)CC1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.70
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
DGAT1 O75907 1/20 0.50
SIGMAR1 Q99720 1/20 0.48
ABL1 P00519 1/20 0.48
NPY5R Q15761 1/20 0.46
SRC P12931 1/20 0.45
CHRM4 P08173 1/20 0.45
EPHX2 P34913 1/20 0.45
MCHR2 Q969V1 2/20 0.45

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) MCHR1DGAT1SIGMAR1NPY5RCHRM4
SCHEMBL7254624 0.92 DGAT1 (0.58) MCHR1DGAT1SIGMAR1
SCHEMBL7258185 0.91 MCHR1 (0.68) MCHR1DGAT1SIGMAR1NPY5RCHRM4
SCHEMBL7258523 0.91 MCHR1 (0.65) MCHR1DGAT1SIGMAR1CHRM4MCHR2
SCHEMBL7254619 0.90 MCHR1 (0.66) MCHR1DGAT1SIGMAR1CHRM4EPHX2
SCHEMBL7254555 0.86 MCHR1 (0.67) MCHR1GAADGAT1SIGMAR1NPY5R
SCHEMBL7255916 0.85 MCHR1 (0.61) MCHR1DGAT1SIGMAR1CHRM4
SCHEMBL7258373 0.85 MCHR1 (0.60) MCHR1DGAT1SIGMAR1CHRM4
SCHEMBL7255884 0.84 MCHR1 (0.59) MCHR1DGAT1SIGMAR1CHRM4MCHR2
SCHEMBL7258396 0.84 DGAT1 (0.60) MCHR1LMNASMN1; SMN2DGAT1SIGMAR1

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