SCHEMBL9157622

SCHEMBL9157622

CN(CCCCNC(=O)C/C=C/c1ccc(-n2ccnc2)cc1)CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
MAOB P27338 3/20 0.40
MAPT P10636 5/20 0.38
KDM4E B2RXH2 1/20 0.38
TBXAS1 P24557 2/20 0.38
APEX1 P27695 1/20 0.38
KMT2A Q03164 3/20 0.37
CYP19A1 P11511 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
TMEM97 Q5BJF2 1/20 0.35
MEN1 O00255 2/20 0.35
MAOA P21397 1/20 0.35
QPCT Q16769 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK8 P45983 1/20 0.35

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
SCHEMBL9156723 0.90 MAOB (0.46) MAOBMAPTKDM4ETBXAS1KMT2A
SCHEMBL9159739 0.89 MAOB (0.42) MAOBMAPTKDM4ETBXAS1KMT2A
SCHEMBL9158516 0.89 TBXAS1 (0.41) MAOBTBXAS1SIGMAR1TMEM97
SCHEMBL9231352 0.87 DRD3 (0.45) MAOBTBXAS1LMNASMN1; SMN2MAPK8
SCHEMBL8828152 0.86 TMEM97 (0.43) MAOBTBXAS1SIGMAR1TMEM97
SCHEMBL9159994 0.85 MAOB (0.40) MAOBMAPTTBXAS1KMT2ASIGMAR1
SCHEMBL8828318 0.85 DRD3 (0.44) MAOBTBXAS1LMNASMN1; SMN2MAPK8
SCHEMBL9233122 0.84 OPRM1 (0.42) MAOBMAPTKDM4EKMT2ASIGMAR1
SCHEMBL9155730 0.83 DRD3 (0.42) MAOBMAPK8MAPK10
SCHEMBL9160192 0.82 CYP3A4 (0.38) MAOBMAPTKDM4EKMT2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0633248-A1 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1995-01-11 EP claimed
EP-0589491-A1 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1994-03-30 EP claimed
US-5430059-A Treating heart disease EISAI CO., LTD. (JP) 1995-07-04 US disclosed
EP-0633248-A1 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1995-01-11 EP disclosed
EP-0589491-A1 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1994-03-30 EP disclosed
US-5292770-A Butenoic acid derivatives EISAI CO., LTD. (JP) 1994-03-08 US disclosed
US-5166188-A Cardiovascular disorders, antiischemic agents EISAI CO., LTD. (JP) 1992-11-24 US disclosed