SCHEMBL16976491

SCHEMBL16976491

N=C(NC(=O)N1CCC(O)CC1)C1(c2ccc(Cl)nc2)CCC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.37
IDO1 P14902 1/20 0.35
P2RX7 Q99572 2/20 0.35
KMT2A Q03164 2/20 0.33
NPY5R Q15761 1/20 0.33
LRRK2 Q5S007 1/20 0.33
MEN1 O00255 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
SCHEMBL16976490 0.82 ALOX5AP (0.49)
SCHEMBL16602863 0.81 THRB (0.38) HSD11B1KMT2AMEN1
SCHEMBL16602731 0.81 ALOX5AP (0.47) IDO1
SCHEMBL16976489 0.80 IDO1 (0.42) HSD11B1IDO1P2RX7
SCHEMBL16976492 0.79 IDO1 (0.41) HSD11B1IDO1P2RX7KMT2AMEN1
SCHEMBL16602804 0.75 ALOX5AP (0.47) IDO1
SCHEMBL16602712 0.75 ALOX5AP (0.47) IDO1
SCHEMBL17799093 0.74 HSD11B1 (0.50) HSD11B1
SCHEMBL17799100 0.74 HSD11B1 (0.50) HSD11B1
SCHEMBL877030 0.74 IDO1 (0.39) IDO1P2RX7

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
EP-2619197-B1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-08-05 EP disclosed