SCHEMBL9537472

SCHEMBL9537472

CCOC(=O)N1CCC(Nc2nc3cccnc3n2CCN(CC)CC)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.53
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NOS1 P29475 4/20 0.47
NOS3 P29474 2/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL9535525 0.89 NOS2 (0.57) NOS2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9536529 0.87 NOS2 (0.55) NOS2ALDH1A1MEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL9539255 0.86 NOS2 (0.54) NOS2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL11275811 0.84 NOS2 (0.58) NOS2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9698789 0.83 NOS2 (0.59) NOS2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8128050 0.82 NOS2 (0.53) NOS2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL11278989 0.81 LMNA (0.55) NOS2ALDH1A1MEN1KMT2ANOS1
SCHEMBL8565079 0.81 NOS2 (0.52) NOS2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9687543 0.81 NOS2 (0.52) NOS2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL14173468 0.81 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282133-B1 1-ALKYL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-28 EP disclosed
US-4943580-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US disclosed
EP-0282133-A2 1-alkyl substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-09-14 EP disclosed