SCHEMBL6940133

SCHEMBL6940133

CC(Cc1ccccc1NN)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.52
TAAR1 Q96RJ0 4/20 0.47
PTGES2 Q9H7Z7 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
NISCH Q9Y2I1 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPA1 O75762 2/20 0.38
RIPK1 Q13546 1/20 0.38
HTR2A P28223 1/20 0.38
NR3C2 P08235 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
SCHEMBL6504953 0.81 GABRA1 (0.47) AOC3TAAR1NOS3NOS1NOS2
SCHEMBL6938711 0.74 ALDH1A1 (0.42) TAAR1NOS3NOS1NOS2L3MBTL1
SCHEMBL6940084 0.74 TAS1R3 (0.42) AOC3NOS3NOS1NOS2L3MBTL1
SCHEMBL6547026 0.73 SLC6A2 (0.49) AOC3TAAR1MAOAMAOBNISCH
SCHEMBL6547230 0.73 SLC6A2 (0.49) AOC3TAAR1MAOAMAOBNISCH
SCHEMBL25215353 0.72 SLC6A2 (0.47) AOC3TAAR1TRPA1
SCHEMBL1952363 0.72 SLC6A2 (0.47) AOC3TAAR1TRPA1
SCHEMBL6545664 0.72 TAAR1 (0.47) AOC3TAAR1MAOAMAOBNISCH
SCHEMBL11300405 0.72 LMNA (0.49) AOC3TAAR1TRPA1RIPK1
SCHEMBL9657114 0.72 GABRA1 (0.61) AOC3TAAR1MAOAMAOBNISCH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1272456-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2003-01-08 EP disclosed
WO-2001079157-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-10-25 WO disclosed