SCHEMBL6583451

SCHEMBL6583451

CN(C)c1ccc(C2=CC(N)(C(=O)Cc3ccc4ccccc4c3)N=N2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.37
MC3R P41968 1/20 0.37
KMT2A Q03164 1/20 0.36
INSR P06213 1/20 0.36
PTGES O14684 3/20 0.35
ALOX5 P09917 3/20 0.35
NPY5R Q15761 2/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
MCL1 Q07820 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
BCHE P06276 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
HTR6 P50406 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL6588483 0.86 NPY5R (0.47) MC4RMC3RKMT2AALOX5NPY5R
SCHEMBL6585427 0.84 NPY5R (0.42) KMT2ANPY5RSIGMAR1ADRA1ARIOK2
SCHEMBL6584761 0.82 RIOK2 (0.38) NPY5RBCHEHTR2CADRA1AHTR2B
SCHEMBL6584448 0.82 NPY5R (0.52) KMT2ANPY5RNPC1MAPTRAB9A
SCHEMBL6588259 0.78 RIOK2 (0.38) MC4RMC3RKMT2AALOX5NPY5R
SCHEMBL6585290 0.78 RIOK2 (0.36) MC4RMC3RKMT2AALOX5MAPT
SCHEMBL6589152 0.76 RIOK2 (0.40) MC4RMC3RKMT2ANPC1RAB9A
SCHEMBL6585559 0.76 LMNA (0.44) KMT2ANPC1ALDH1A1GAAMAPT
SCHEMBL6584847 0.67 NPY5R (0.76) NPY5RRIOK2MAPK8GSK3AMAPK10
SCHEMBL6584786 0.65 PTGS2 (0.43) MAPT

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-0945440-B1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-05-26 EP claimed