SCHEMBL4440090

SCHEMBL4440090

CC(C)(C=O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
POLB P06746 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
RAB9A P51151 1/20 0.48
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
TGM2 P21980 4/20 0.39
HSD11B1 P28845 1/20 0.37

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
SCHEMBL1645884 0.88 MAPT (0.62) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL1991089 0.83 MAPT (0.62) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL28643655 0.82 MAPT (0.55) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL21275401 0.81 MAPT (0.63) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL29608091 0.81 MAPT (0.67) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL611726 0.81 MAPT (0.67) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL6364471 0.80 MAPT (0.60) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL17108488 0.79 MAPT (0.63) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL4690095 0.79 MAPT (0.63) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL4696975 0.78 MAPT (0.67) MAPTPOLBSMN1; SMN2RAB9ACHRNB2

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-2097413-A1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G Limited (GB) 2009-09-09 EP disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 WO disclosed