SCHEMBL9629563

SCHEMBL9629563

CCOC(=O)N1CCC(Nc2nc3cccnc3n2Cc2ccco2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.46
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NOS1 P29475 4/20 0.42
TSHR P16473 3/20 0.42
HPGD P15428 3/20 0.42
NOS3 P29474 2/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
USP2 O75604 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL9385081 0.95 NOS2 (0.52) NOS2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9630462 0.92 NOS2 (0.48) NOS2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9630349 0.88 NOS2 (0.46) NOS2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9630380 0.85 NOS2 (0.52) NOS2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL10814067 0.85 ALDH1A1 (0.45) ALDH1A1L3MBTL1TSHRHPGDMAPT
SCHEMBL9630389 0.85 MAPT (0.51) NOS2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9686522 0.84 NOS2 (0.51) NOS2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9564816 0.83 NOS2 (0.46) NOS2ALDH1A1NOS1TSHRHPGD
SCHEMBL9687169 0.83 NOS2 (0.52) NOS2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9687543 0.83 NOS2 (0.52) NOS2ALDH1A1MEN1KMT2AL3MBTL1

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
US-5151424-A Antiallergens or antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-29 US disclosed
EP-0297661-B1 [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-16 EP disclosed
US-5071846-A Anti-hystaminic [(bicyclic heterocyclyl) methyl and --hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1991-12-10 US disclosed
US-4988689-A Antiallergens, antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-01-29 US disclosed
EP-0297661-A1 [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-04 EP disclosed