SCHEMBL1127168

SCHEMBL1127168

Cc1cn(C)c(C(=O)C(=O)Nc2ccc(-c3ncc(CN4CCCCC4)o3)cc2)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.39
KCNH2 Q12809 5/20 0.39
MCHR1 Q99705 2/20 0.37
HTR2C P28335 1/20 0.37
MOK Q9UQ07 1/20 0.37
HTR3A P46098 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.36
MAPK1 P28482 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 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
SCHEMBL1126539 0.84 TRPV1 (0.40) CHRNA7KCNH2MCHR1HTR2CMOK
SCHEMBL1127158 0.76 FAAH (0.42) KDM4EMEN1NPC1ALDH1A1HPGD
SCHEMBL1127139 0.72 MAPT (0.48) MEN1NPC1ALDH1A1KMT2AHSD17B10
SCHEMBL1126595 0.68 RAB9A (0.48) KDM4EMEN1NPC1KMT2AHSD17B10
SCHEMBL1126561 0.66 MAPT (0.41) KDM4EMEN1NPC1ALDH1A1KMT2A
SCHEMBL1126843 0.66 SLC1A2 (0.41) HTR2CMEN1NPC1KMT2AHTT
SCHEMBL1126845 0.66 HCRTR1 (0.41) CHRNA7MEN1NPC1ALDH1A1KMT2A
SCHEMBL1126575 0.63 MCHR1 (0.36) MCHR1KDM4EMEN1NPC1ALDH1A1
SCHEMBL1127407 0.63 PTGS2 (0.49) KCNH2KDM4EMEN1NPC1ALDH1A1
SCHEMBL1126693 0.62 MEN1 (0.49) KDM4EMEN1ALDH1A1HPGDKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO disclosed