SCHEMBL19935201

SCHEMBL19935201

CC(C)(C)OC(=O)N1CCC[C@@H]1CC(c1ccccc1)c1cccc(P)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.41
▸ KDM1A O60341 1/20 0.40
▸ NR1H2 P55055 2/20 0.40
▸ NR1H3 Q13133 2/20 0.40
▸ UCHL1 P09936 2/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALOX5AP P20292 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ KLK7 P49862 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ ACE P12821 1/20 0.38

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
SCHEMBL22745205 0.88 RIPK1 (0.45) OPRD1KDM1ANR1H2NR1H3UCHL1
SCHEMBL20595718 0.82 CYP2D6 (0.54) OPRD1KDM1AMEN1KMT2ALMNA
SCHEMBL6536075 0.82 CYP2D6 (0.54) OPRD1KDM1AMEN1KMT2ALMNA
SCHEMBL25969912 0.82 CYP2D6 (0.54) OPRD1KDM1AMEN1KMT2ALMNA
SCHEMBL25969915 0.82 CYP2D6 (0.54) OPRD1KDM1AMEN1KMT2ALMNA
SCHEMBL6535534 0.81 OPRD1 (0.45) OPRD1KDM1AUCHL1MEN1KMT2A
SCHEMBL1584144 0.78 OPRD1 (0.45) OPRD1KDM1AUCHL1MEN1KMT2A
SCHEMBL25969813 0.75 ATM (0.45) OPRD1KDM1AMEN1KMT2AKLK7
SCHEMBL20595798 0.74 CYP2D6 (0.50) NR1H2NR1H3LMNATSHR
SCHEMBL6012057 0.74 ATM (0.44) OPRD1KDM1AMEN1KMT2AKLK7

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-2018042303-A1 FUSED TRICYCLIC PYRIDAZINONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2018-03-08 — — WO disclosed
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