SCHEMBL7846227

SCHEMBL7846227

CCOC(=O)N1CCC(c2ccnc(N)c2N)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.51
NOS1 P29475 4/20 0.51
NOS3 P29474 3/20 0.51
CHRM4 P08173 2/20 0.47
GAA P10253 2/20 0.47
MAP4K4 O95819 1/20 0.47
CHRM2 P08172 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KDM5C P41229 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
KDM3A Q9Y4C1 1/20 0.44

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
SCHEMBL29844626 0.84 GPR119 (0.51) KDM4E
SCHEMBL17973878 0.84 GPR119 (0.51) KDM4E
SCHEMBL15972446 0.82 NEK2 (0.38)
SCHEMBL7847139 0.81 GRIN2B (0.38) NOS2NOS1NOS3
SCHEMBL23865988 0.75 NOS2 (0.60) NOS2NOS1NOS3CHRM4GAA
SCHEMBL13548452 0.74 GAA (0.49) NOS2NOS1NOS3GAAALDH1A1
SCHEMBL29526095 0.73 NOS3 (0.45) NOS2NOS1NOS3
SCHEMBL928999 0.73 NOS3 (0.45) NOS2NOS1NOS3
SCHEMBL13319027 0.73 NOS2 (0.67) NOS2NOS1NOS3MAP4K4ALDH1A1
SCHEMBL4705226 0.73 GAA (0.58) NOS2GAACHRM2ALDH1A1KDM4E

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-0821685-B1 INDOLE-3-CARBONYL AND INDOLE-3-SULFONYL DERIVATIVES AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LAB (US) 2001-10-04 EP disclosed
WO-1996033196-A1 INDOLE-3-CARBONYL AND INDOLE-3-SULFONYL DERIVATIVES AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1996-10-24 WO disclosed
US-5567711-A Indole-3-carbonyl and indole-3-sulfonyl derivatives as platelet activating factor antagonists ABBOTT LABORATORIES (US) 1996-10-22 US disclosed