SCHEMBL6867699

SCHEMBL6867699

CN(C)c1nc(N[C@H]2CC[C@@H](CNCc3csc4ccccc34)CC2)nc2c1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.46
ADRA2A P08913 12/20 0.46
NPY5R Q15761 5/20 0.46
HTR1A P08908 2/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ACHE P22303 3/20 0.36
ADRA1A P35348 2/20 0.34
HRH1 P35367 2/20 0.34
HTR2B P41595 2/20 0.34

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
SCHEMBL6867705 1.00 MCHR1 (0.46) MCHR1ADRA2ANPY5RHTR1AHDAC1
SCHEMBL6877646 0.89 SMN1; SMN2 (0.43) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL6877641 0.89 SMN1; SMN2 (0.43) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13793708 0.86 MCHR1 (0.60) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL6874138 0.85 MCHR1 (0.46) MCHR1ADRA2ANPY5RHTR1AACHE
SCHEMBL6874132 0.85 MCHR1 (0.46) MCHR1ADRA2ANPY5RHTR1AACHE
SCHEMBL6463203 0.84 MCHR1 (0.49) MCHR1ADRA2ANPY5RHTR1AACHE
SCHEMBL6876819 0.84 MCHR1 (0.49) MCHR1ADRA2ANPY5RHTR1AACHE
SCHEMBL7042582 0.84 MCHR1 (0.48) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL7042577 0.84 MCHR1 (0.48) MCHR1ADRA2ANPY5RHTR1AADRA1A

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