SCHEMBL13962467

SCHEMBL13962467

CC(O)CNc1c(C(=O)NC2CCC3CC4CC2(C3)C4)cnn1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 5/20 0.41
HSD11B1 P28845 5/20 0.39
KMT2A Q03164 1/20 0.38
MAPK14 Q16539 2/20 0.37
MAPK11 Q15759 1/20 0.37
ROCK2 O75116 2/20 0.37
HPGD P15428 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
SCHEMBL13961816 0.85 FPR1 (0.41) FPR1HSD11B1MAPK14MAPK11ROCK2
SCHEMBL13962516 0.84 FPR1 (0.41) FPR1HSD11B1MAPK14ROCK2
SCHEMBL13961813 0.84 FPR1 (0.40) FPR1HSD11B1MAPK14MAPK11ROCK2
SCHEMBL3074521 0.83 CNR2 (0.49) HPGD
SCHEMBL3074515 0.83 HSD11B1 (0.58) FPR1HSD11B1HPGD
SCHEMBL13962522 0.81 FPR1 (0.47) FPR1HSD11B1ROCK2HPGD
SCHEMBL13962474 0.81 ALDH1A1 (0.45) FPR1HSD11B1HPGD
SCHEMBL13962771 0.81 FPR1 (0.50) FPR1HSD11B1KMT2AHPGD
SCHEMBL13961805 0.80 HSD11B1 (0.41) FPR1HSD11B1ROCK2
SCHEMBL13962472 0.79 HSD11B1 (0.38) FPR1HSD11B1

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-2009010416-A2 INHIBITORS OF 11B-HYDROXYSTEROID DEHYDROGENASE F. HOFFMANN-LA ROCHE AG (CH) 2009-01-22 WO disclosed