SCHEMBL6878993

SCHEMBL6878993

CN(C)c1cc(NC2CCC(CNCCCOc3ccccc3)CC2)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.45
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADRA2A P08913 6/20 0.40
NPY5R Q15761 3/20 0.40
AVPR1B P47901 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 1/20 0.36
DRD2 P14416 3/20 0.36
DRD4 P21917 3/20 0.36
DRD3 P35462 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 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
SCHEMBL6878985 1.00 MCHR1 (0.45) MCHR1LMNAKDM4ESMN1; SMN2ADRA2A
SCHEMBL6878808 0.87 MCHR1 (0.48) MCHR1LMNAKDM4ESMN1; SMN2ADRA2A
SCHEMBL6878811 0.87 MCHR1 (0.48) MCHR1LMNAKDM4ESMN1; SMN2ADRA2A
SCHEMBL6880757 0.87 MCHR1 (0.48) MCHR1LMNAKDM4ESMN1; SMN2ADRA2A
SCHEMBL6880754 0.87 MCHR1 (0.48) MCHR1LMNAKDM4ESMN1; SMN2ADRA2A
SCHEMBL6874150 0.85 MCHR1 (0.44) MCHR1LMNAADRA2AKMT2ATP53
SCHEMBL6874146 0.85 MCHR1 (0.44) MCHR1LMNAADRA2AKMT2ATP53
SCHEMBL6879235 0.84 MCHR1 (0.43) MCHR1LMNAKDM4ESMN1; SMN2ADRA2A
SCHEMBL6874823 0.82 CNR2 (0.48) MCHR1LMNASMN1; SMN2ADRA2AMEN1
SCHEMBL6874816 0.82 CNR2 (0.48) MCHR1LMNASMN1; SMN2ADRA2AMEN1

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