SCHEMBL8828172

SCHEMBL8828172

CN(CCCNC(=O)C/C=C/c1ccc(-n2ccnc2)cc1)CCc1ccc2c(c1)OCCO2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 14/20 0.43
NOS1 P29475 5/20 0.43
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
ALOX15 P16050 1/20 0.39
MAOB P27338 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.38
KCNH2 Q12809 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
SCHEMBL8828285 0.95 NOS2 (0.46) NOS2NOS1
SCHEMBL9159994 0.85 MAOB (0.40) LMNAMAPTALOX15MAOBTP53
SCHEMBL8828152 0.85 TMEM97 (0.43) MAOB
SCHEMBL8828195 0.85 OPRM1 (0.44) NOS2MAPTMAOB
SCHEMBL8828318 0.83 DRD3 (0.44) NOS2LMNAMAOB
SCHEMBL8828417 0.83 L3MBTL1 (0.42) LMNAMAPTMAOBTP53
SCHEMBL9156723 0.83 MAOB (0.46) LMNAMAPTMAOBHTT
SCHEMBL8828168 0.83 DRD3 (0.45)
SCHEMBL8828202 0.83 DRD3 (0.41) MAOB
SCHEMBL9159739 0.83 MAOB (0.42) MAPTMAOB

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-5607953-A ANTIISCHEMIC AGENTS EISAI CO., LTD. (JP) 1997-03-04 US disclosed
EP-0344577-B1 Butenoic or propenoic acid derivatives EISAI CO LTD (JP) 1996-10-09 EP disclosed
US-5382595-A Antiischemic agents EISAI CO., LTD. (JP) 1995-01-17 US disclosed
US-5177089-A Antiischemic agent, vasodilator EISAI CO., LTD. (JP) 1993-01-05 US disclosed
EP-0344577-A2 Butenoic or propenoic acid derivatives Eisai Co., Ltd. (JP) 1989-12-06 EP disclosed