SCHEMBL1126920

SCHEMBL1126920

Cc1cccc(N2CCN(c3ccc(NC(=O)C=O)cc3)CC2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.59
TGM2 P21980 1/20 0.59
TGM1 P22735 1/20 0.59
TGM3 Q08188 1/20 0.59
CHRNA7 P36544 5/20 0.50
CHRNA10 Q9GZZ6 5/20 0.50
CHRNA9 Q9UGM1 5/20 0.50
ALDH1A1 P00352 6/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
GAA P10253 1/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
KCNH2 Q12809 2/20 0.47
MAPT P10636 8/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL1126421 0.84 ALDH1A1 (0.48) F13A1TGM2TGM1TGM3ALDH1A1
SCHEMBL22495215 0.78 RAB9A (0.53) CHRNA7CHRNA10CHRNA9ALDH1A1MEN1
SCHEMBL1869426 0.74 F13A1 (1.00) F13A1TGM2TGM1TGM3
SCHEMBL1126919 0.73 HTR3E (0.52) F13A1TGM2TGM1TGM3CHRNA7
SCHEMBL1126465 0.73 HTR3E (0.63) ALDH1A1MEN1KMT2AGAAHTR3E
SCHEMBL1991472 0.72 KCNH2 (0.44) F13A1TGM2TGM1TGM3CHRNA7
SCHEMBL30235095 0.72 KCNH2 (0.44) F13A1TGM2TGM1TGM3CHRNA7
SCHEMBL31720733 0.72 CHRNA7 (0.69) CHRNA7CHRNA10CHRNA9MAPTNPC1
SCHEMBL12529092 0.71 MCHR1 (0.52) ALDH1A1MAPTKDM4E
SCHEMBL31720799 0.71 CHRNA7 (0.71) CHRNA7CHRNA10CHRNA9MEN1KMT2A

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