SCHEMBL881807

SCHEMBL881807

Nc1ncc(-c2ccc(C3(N)CCC3)nc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 17/20 0.45
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HSD11B1 P28845 1/20 0.37
MAP4K4 O95819 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
SCHEMBL876202 0.78 MAP3K12 (0.50) ALOX5APMAP4K4
SCHEMBL12940515 0.78 ALOX5AP (0.50) ALOX5AP
Hydrochloric Acid SCHEMBL12802443 0.76 ALOX5AP (0.49) ALOX5AP
SCHEMBL10155426 0.74 ALOX5AP (0.40) ALOX5APLMNAMAPTHSD11B1
SCHEMBL19402094 0.74 LTA4H (0.44) HSD11B1MAP4K4
SCHEMBL16545978 0.73 NOS3 (0.42) MAPT
SCHEMBL12967389 0.73 AKT1 (0.30)
SCHEMBL881806 0.73 ADRA2A (0.35)
SCHEMBL10156248 0.70 ALOX5AP (0.51) ALOX5AP
SCHEMBL27869063 0.70 MKNK1 (0.44)

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
WO-2012040139-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-29 WO disclosed