SCHEMBL6875975

SCHEMBL6875975

CC(C)Oc1ccc(CNC[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.46
ADRA2A P08913 3/20 0.41
NPY5R Q15761 3/20 0.41
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SSTR5 P35346 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MITF O75030 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
APP P05067 2/20 0.35

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
SCHEMBL6875981 1.00 MCHR1 (0.46) MCHR1ADRA2ANPY5RKDM4ESMN1; SMN2
SCHEMBL6877690 0.90 MCHR1 (0.48) MCHR1ADRA2ANPY5RKDM4ESMN1; SMN2
SCHEMBL6877696 0.90 MCHR1 (0.48) MCHR1ADRA2ANPY5RKDM4ESMN1; SMN2
SCHEMBL6867536 0.87 MCHR1 (0.50) MCHR1ADRA2ANPY5RKDM4ESMN1; SMN2
SCHEMBL6877043 0.87 MCHR1 (0.50) MCHR1ADRA2ANPY5RKDM4ESMN1; SMN2
SCHEMBL6867532 0.87 MCHR1 (0.50) MCHR1ADRA2ANPY5RKDM4ESMN1; SMN2
SCHEMBL6877036 0.87 MCHR1 (0.50) MCHR1ADRA2ANPY5RKDM4ESMN1; SMN2
SCHEMBL6873131 0.86 MCHR1 (0.49) MCHR1ADRA2ANPY5RKDM4ESMN1; SMN2
SCHEMBL6873125 0.86 MCHR1 (0.49) MCHR1ADRA2ANPY5RKDM4ESMN1; SMN2
SCHEMBL6866954 0.85 MCHR1 (0.46) MCHR1ADRA2ANPY5RKDM4ESMN1; SMN2

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
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed