SCHEMBL6879102

SCHEMBL6879102

COc1cc(C)c(CNC[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.46
ADRA2A P08913 4/20 0.46
NPY5R Q15761 3/20 0.46
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SGPL1 O95470 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
APP P05067 2/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL6879106 1.00 MCHR1 (0.46) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6873084 0.89 MCHR1 (0.47) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6873090 0.89 MCHR1 (0.47) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6879514 0.88 APP (0.46) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6879519 0.88 APP (0.46) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6462424 0.88 MCHR1 (0.49) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6874814 0.88 MCHR1 (0.49) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6878861 0.86 MCHR1 (0.46) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6878869 0.86 MCHR1 (0.46) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6868742 0.86 MCHR1 (0.48) MCHR1ADRA2ANPY5RKDM4ELMNA

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