SCHEMBL877503

SCHEMBL877503

O=C(O)c1cnc(N2CCN(C(=O)O)CC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
CKS1B P61024 6/20 0.40
SKP1 P63208 6/20 0.40
SKP2 Q13309 6/20 0.40
ME2 P23368 2/20 0.39
ME1 P48163 2/20 0.39
ME3 Q16798 2/20 0.39
KMO O15229 1/20 0.39
SLC6A7 Q99884 1/20 0.38
PANK3 Q9H999 1/20 0.38
AKR1C3 P42330 1/20 0.38
SMO Q99835 2/20 0.37
HCAR2 Q8TDS4 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
SCHEMBL25666898 0.84 MAPT (0.44) HRH3KMOHCAR2
SCHEMBL28630760 0.83 HDAC3 (0.46) HRH3
SCHEMBL30855580 0.83 MAPT (0.45) HRH3KMOHCAR2
SCHEMBL14658665 0.83 MAPT (0.45) HRH3KMOHCAR2
SCHEMBL8291820 0.80 AKR1C3 (0.43) CKS1BSKP1SKP2ME2ME1
SCHEMBL29907656 0.80 KMO (0.60) KMOAKR1C3
SCHEMBL10241318 0.80 HDAC3 (0.52) KMO
SCHEMBL29631957 0.80 PANK3 (0.55) CKS1BSKP1SKP2ME2ME1
SCHEMBL322646 0.80 KMO (0.60) KMOAKR1C3
SCHEMBL876797 0.80 CKS1B (0.59) HRH3CKS1BSKP1SKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2809321-B1 PHENYL-C-OXADIAZOLE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE PRODUCTION FOR USE IN COMBINATION THERAPY BOEHRINGER INGELHEIM INT (DE) 2016-11-09 EP disclosed
EP-2606045-B1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2016-01-06 EP disclosed
WO-2013113799-A1 PHENYL -C-OXADIAZOLE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE PRODUCTION COMBINATION THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-08 WO disclosed
EP-2619197-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION Boehringer Ingelheim International GmbH (DE) 2013-07-31 EP disclosed
WO-2012040139-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-29 WO disclosed