SCHEMBL6872033

SCHEMBL6872033

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)C3CCCCC3)CC2)nc2c1CCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.41
ADRA2A P08913 10/20 0.41
HRH1 P35367 5/20 0.41
HTR2B P41595 5/20 0.41
ADRA1A P35348 3/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 3/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6872039 1.00 MCHR1 (0.41) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875841 0.99 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6876811 0.88 MCHR1 (0.43) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6876804 0.88 MCHR1 (0.43) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6876501 0.87 MCHR1 (0.43) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6876495 0.87 MCHR1 (0.43) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877601 0.86 MCHR1 (0.47) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877604 0.86 MCHR1 (0.47) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6876969 0.84 ALDH1A1 (0.41) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875487 0.84 ALDH1A1 (0.41) MCHR1ADRA2AHRH1HTR2BADRA1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100451004-C Pyrimidine derivatives ARENA PHARM INC (JP) 2009-01-14 CN disclosed
CN-1798736-A Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use ARENA PHARM INC (JP) 2006-07-05 CN disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed