SCHEMBL7258185

SCHEMBL7258185

O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(c1)CCC(CN1CCCCC1)C2

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.68
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
DGAT1 O75907 1/20 0.51
MCHR2 Q969V1 2/20 0.49
EPHX1 P07099 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HPGD P15428 1/20 0.47
CXCR3 P49682 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
BACE1 P56817 1/20 0.46
CHRM4 P08173 1/20 0.46
KDM2B Q8NHM5 2/20 0.45
NPY5R Q15761 1/20 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 0.99 MCHR1 (0.69) MCHR1MEN1KMT2AALDH1A1GLA
SCHEMBL7254689 0.91 MCHR1 (0.70) MCHR1DGAT1MCHR2SIGMAR1CHRM4
SCHEMBL7258396 0.91 DGAT1 (0.60) MCHR1MEN1KMT2AALDH1A1DGAT1
SCHEMBL7254619 0.91 MCHR1 (0.66) MCHR1ALDH1A1DGAT1MCHR2SIGMAR1
SCHEMBL7258523 0.90 MCHR1 (0.65) MCHR1ALDH1A1DGAT1MCHR2SIGMAR1
SCHEMBL7254555 0.85 MCHR1 (0.67) MCHR1MEN1KMT2AALDH1A1DGAT1
SCHEMBL7255884 0.85 MCHR1 (0.59) MCHR1DGAT1MCHR2SIGMAR1CHRM4
SCHEMBL7255916 0.84 MCHR1 (0.61) MCHR1DGAT1SIGMAR1NPC1RAB9A
SCHEMBL7258373 0.84 MCHR1 (0.60) MCHR1DGAT1SIGMAR1CHRM4
SCHEMBL7254582 0.83 MCHR1 (0.57) MCHR1DGAT1MCHR2SIGMAR1CHRM4

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