SCHEMBL6866938

SCHEMBL6866938

CN(C)c1cc(N[C@H]2CC[C@@H](NCc3cccc4ccccc34)CC2)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.55
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADRA2A P08913 2/20 0.43
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
TACR1 P25103 3/20 0.40
APP P05067 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6866944 1.00 MCHR1 (0.55) MCHR1LMNAKDM4ESMN1; SMN2ADRA2A
SCHEMBL27653033 0.86 SIGMAR1 (0.50) MCHR1LMNAKDM4ESMN1; SMN2ADRA2A
SCHEMBL6868529 0.85 MCHR1 (0.46) MCHR1LMNAKDM4ESMN1; SMN2ADRA2A
SCHEMBL6868526 0.85 MCHR1 (0.46) MCHR1LMNAKDM4ESMN1; SMN2ADRA2A
SCHEMBL6869089 0.85 MCHR1 (0.51) MCHR1LMNAKDM4ESMN1; SMN2ADRA2A
SCHEMBL6869085 0.85 MCHR1 (0.51) MCHR1LMNAKDM4ESMN1; SMN2ADRA2A
SCHEMBL6873630 0.85 MCHR1 (0.51) MCHR1LMNAKDM4ESMN1; SMN2ADRA2A
SCHEMBL6879016 0.85 MCHR1 (0.51) MCHR1LMNAKDM4ESMN1; SMN2ADRA2A
SCHEMBL6873635 0.85 MCHR1 (0.51) MCHR1LMNAKDM4ESMN1; SMN2ADRA2A
SCHEMBL6879011 0.85 MCHR1 (0.51) MCHR1LMNAKDM4ESMN1; 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