SCHEMBL8828346

SCHEMBL8828346

COc1cc(CCN(C)CC(O)CNC(=O)C/C=C/c2ccc(-n3ccnc3)cc2)cc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.40
ADRB1 P08588 3/20 0.40
ADRB3 P13945 3/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CYP24A1 Q07973 3/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
MAOB P27338 2/20 0.37
HTT P42858 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 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
SCHEMBL8828202 0.87 DRD3 (0.41) CYP11B1CYP11B2MAPK8MAPK10MAOB
Hydrochloric Acid SCHEMBL6368810 0.86 DRD3 (0.41) CYP11B1CYP11B2MAPK8MAPK10MAOB
SCHEMBL9155730 0.86 DRD3 (0.42) CYP11B1CYP11B2MAPK8MAPK10MAOB
SCHEMBL8828534 0.84 CYP24A1 (0.41) CYP11B1CYP11B2CYP24A1MAPK8MAPK10
SCHEMBL8828270 0.82 ALDH1A1 (0.39) CYP24A1MAOBALDH1A1SMN1; SMN2KDM4E
SCHEMBL8828168 0.81 DRD3 (0.45) DRD2DRD3KDM4E
SCHEMBL9158719 0.80 DRD3 (0.46) DRD2DRD3KDM4E
SCHEMBL8828318 0.79 DRD3 (0.44) ADRB2ADRB1ADRB3CYP11B1CYP11B2
SCHEMBL9231352 0.79 DRD3 (0.45) ADRB2ADRB1ADRB3CYP11B1CYP11B2
SCHEMBL8828419 0.78 MAOB (0.38) CYP24A1MAOBHTTALDH1A1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0344577-B1 Butenoic or propenoic acid derivatives EISAI CO LTD (JP) 1996-10-09 EP claimed
EP-0560138-B1 Drug formulations by liposomes and the process for their manufacture BAYER AG (DE) 1996-04-03 EP claimed
EP-0560138-A1 Drug formulations by liposomes and the process for their manufacture BAYER AG (DE) 1993-09-15 EP claimed
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
EP-0560138-B1 Drug formulations by liposomes and the process for their manufacture BAYER AG (DE) 1996-04-03 EP disclosed
US-5382595-A Antiischemic agents EISAI CO., LTD. (JP) 1995-01-17 US disclosed
EP-0560138-A1 Drug formulations by liposomes and the process for their manufacture BAYER AG (DE) 1993-09-15 EP 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