SCHEMBL6878682

SCHEMBL6878682

CN(C)c1cc(NC2CCC(NCCc3cccc(Cl)c3)CC2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.49
ADRA2A P08913 2/20 0.44
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
APP P05067 3/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
MAOB P27338 5/20 0.40
HTR6 P50406 5/20 0.40
CAMK2D Q13557 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
CCNT1 O60563 1/20 0.37

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
SCHEMBL6878676 1.00 MCHR1 (0.49) MCHR1ADRA2AROCK2ROCK1KDM4E
SCHEMBL6874171 0.84 MCHR1 (0.51) MCHR1ADRA2AROCK2ROCK1KDM4E
SCHEMBL6874173 0.84 MCHR1 (0.51) MCHR1ADRA2AROCK2ROCK1KDM4E
SCHEMBL6875826 0.83 MCHR1 (0.48) MCHR1ADRA2AKDM4ELMNASMN1; SMN2
SCHEMBL6875830 0.83 MCHR1 (0.48) MCHR1ADRA2AKDM4ELMNASMN1; SMN2
SCHEMBL6877209 0.83 MCHR1 (0.49) MCHR1ADRA2AROCK2ROCK1KDM4E
SCHEMBL13795246 0.83 MCHR1 (0.65) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL6877202 0.83 MCHR1 (0.49) MCHR1ADRA2AROCK2ROCK1KDM4E
SCHEMBL6873494 0.81 ALOX12 (0.55) MCHR1ADRA2ALMNASMN1; SMN2APP
SCHEMBL6873492 0.81 ALOX12 (0.55) MCHR1ADRA2ALMNASMN1; SMN2APP

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