SCHEMBL1126522

SCHEMBL1126522

CCC(C)(C)N1CCN(c2ccc(NC(=O)C(=O)c3c(-c4ccccc4)cc(C)n3CCOC)c(F)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.37
POLB P06746 2/20 0.37
F10 P00742 1/20 0.35
C5AR1 P21730 1/20 0.35
P2RY1 P47900 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CMA1 P23946 1/20 0.33
ATM Q13315 1/20 0.33
CHRM3 P20309 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP3A4 P08684 1/20 0.33
KCNH2 Q12809 1/20 0.33
LRRK2 Q5S007 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL1126921 0.89 MAPT (0.37) MAPTPOLBF10LMNATP53
SCHEMBL1989043 0.89 MAPT (0.38) MAPTPOLBF10TP53ATM
SCHEMBL1999344 0.88 MAPT (0.41) MAPTPOLBP2RY1RAB9A
SCHEMBL1127171 0.87 POLB (0.42) MAPTPOLBLMNACYP3A4
SCHEMBL1126883 0.86 SIGMAR1 (0.38) MAPTPOLBF10RAB9A
SCHEMBL1126928 0.86 MAPT (0.39) MAPTPOLBF10LMNATP53
SCHEMBL1126811 0.84 MAPT (0.36) MAPTPOLBF10LMNATP53
SCHEMBL1994130 0.80 MAPT (0.39) MAPTPOLBLMNATP53
SCHEMBL1127002 0.78 AR (0.40) MAPTP2RY1LMNAATMRAB9A
SCHEMBL1126909 0.77 MEN1 (0.41) MAPTPOLBLMNANPC1RAB9A

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