SCHEMBL6879831

SCHEMBL6879831

COC(C(=O)N[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.44
ADRA2A P08913 10/20 0.44
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CCNA1 P78396 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
NPY5R Q15761 1/20 0.41

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
SCHEMBL6879837 1.00 MCHR1 (0.44) MCHR1ADRA2ACCNA2CDK2CCNA1
SCHEMBL6878095 0.91 TSHR (0.55) MCHR1ADRA2ATSHRSMN1; SMN2KDM4E
SCHEMBL6878098 0.91 TSHR (0.55) MCHR1ADRA2ATSHRSMN1; SMN2KDM4E
SCHEMBL6460716 0.88 MCHR1 (0.46) MCHR1ADRA2ASMN1; SMN2KDM4ELMNA
SCHEMBL6460722 0.88 MCHR1 (0.46) MCHR1ADRA2ASMN1; SMN2KDM4ELMNA
SCHEMBL6873947 0.85 MCHR1 (0.47) MCHR1ADRA2ASMN1; SMN2KDM4ELMNA
SCHEMBL6873948 0.85 MCHR1 (0.47) MCHR1ADRA2ASMN1; SMN2KDM4ELMNA
SCHEMBL6874583 0.83 LMNA (0.52) MCHR1ADRA2ASMN1; SMN2KDM4ELMNA
SCHEMBL6874577 0.83 LMNA (0.52) MCHR1ADRA2ASMN1; SMN2KDM4ELMNA
SCHEMBL6873538 0.83 MCHR1 (0.48) MCHR1ADRA2ASMN1; SMN2KDM4ELMNA

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