SCHEMBL27632508

SCHEMBL27632508

CCc1ccccc1N(C[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.43
NPY5R Q15761 4/20 0.41
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.37
ADRA2A P08913 11/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HTR1A P08908 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35
PDE10A Q9Y233 1/20 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
SCHEMBL27632401 0.95 MCHR1 (0.42) MCHR1NPY5RTP53SMN1; SMN2KDM4E
SCHEMBL27632415 0.93 MCHR1 (0.42) MCHR1NPY5RTP53SMN1; SMN2KDM4E
SCHEMBL27632628 0.90 NPY5R (0.44) MCHR1NPY5RSMN1; SMN2KDM4ELMNA
SCHEMBL27651724 0.90 MCHR1 (0.40) MCHR1NPY5RTP53SMN1; SMN2KDM4E
SCHEMBL27652700 0.89 MCHR1 (0.42) MCHR1NPY5RSMN1; SMN2KDM4ELMNA
SCHEMBL27632589 0.89 MCHR1 (0.42) MCHR1NPY5RSMN1; SMN2KDM4ELMNA
SCHEMBL27632717 0.88 ACP1 (0.42) MCHR1NPY5RSMN1; SMN2KDM4ELMNA
SCHEMBL28757173 0.88 MCHR1 (0.39) MCHR1NPY5RTP53SMN1; SMN2KDM4E
SCHEMBL27652715 0.86 MCHR1 (0.44) MCHR1NPY5RTP53SMN1; SMN2KDM4E
SCHEMBL27652717 0.86 MCHR1 (0.44) MCHR1NPY5RTP53SMN1; SMN2KDM4E

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
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