SCHEMBL6874173

SCHEMBL6874173

CN(C)c1cc(NC2CCC(NCCc3ccc(Br)cc3)CC2)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.51
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
APP P05067 2/20 0.42
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
ADRA2A P08913 7/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
GRIN2B Q13224 1/20 0.37
NPY5R Q15761 3/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 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
SCHEMBL6874171 1.00 MCHR1 (0.51) MCHR1KDM4ELMNASMN1; SMN2APP
SCHEMBL6875330 0.89 MCHR1 (0.46) MCHR1KDM4ELMNASMN1; SMN2APP
SCHEMBL6875335 0.89 MCHR1 (0.46) MCHR1KDM4ELMNASMN1; SMN2APP
SCHEMBL6877202 0.84 MCHR1 (0.49) MCHR1KDM4ELMNASMN1; SMN2APP
SCHEMBL6878682 0.84 MCHR1 (0.49) MCHR1KDM4ELMNASMN1; SMN2APP
SCHEMBL6877209 0.84 MCHR1 (0.49) MCHR1KDM4ELMNASMN1; SMN2APP
SCHEMBL6878676 0.84 MCHR1 (0.49) MCHR1KDM4ELMNASMN1; SMN2APP
SCHEMBL6464209 0.81 MCHR1 (0.62) MCHR1ADRA2ANPY5R
SCHEMBL6877613 0.81 MCHR1 (0.48) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6877619 0.81 MCHR1 (0.48) MCHR1KDM4ELMNASMN1; SMN2ADRA2A

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