SCHEMBL4022923

SCHEMBL4022923

CCCC(CCC)C(=O)NC(C(N)=O)C(C)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
CHRM1 P11229 1/20 0.38
AKR1A1 P14550 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
ENPEP Q07075 2/20 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
SCHEMBL4022924 1.00 HDAC8 (0.47) HDAC8HDAC7HDAC6HDAC9HDAC5
SCHEMBL6977604 0.79 HDAC8 (0.52) HDAC8HDAC7HDAC6HDAC9HDAC5
SCHEMBL26781562 0.77 PDCD1LG2 (0.35) ENPEPMMECA1CA2
SCHEMBL15475245 0.77 HDAC8 (0.58) HDAC8HDAC7HDAC6HDAC9HDAC5
SCHEMBL31057050 0.76 HDAC8 (0.52) HDAC8HDAC7HDAC6HDAC9HDAC5
SCHEMBL26263797 0.75 DPP4 (0.47) ENPEPMME
SCHEMBL30684497 0.75 DPP4 (0.47) ENPEPMME
SCHEMBL3355578 0.74 HDAC8 (0.50) HDAC8HDAC7HDAC6HDAC9HDAC5
SCHEMBL27427799 0.74 HDAC8 (0.46) HDAC8HDAC7HDAC6HDAC9HDAC5
SCHEMBL4021260 0.74 HDAC8 (0.46) HDAC8HDAC7HDAC6HDAC9HDAC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1106379-C 2-propylvaleramide and 2-propylpentenamide derivatives and their use as anticonvulsants YISSUM RES DEV CO (IL) 2003-04-23 CN claimed
CN-1111907-A 2-propylvaleramide and 2-propylpentenamide derivatives and their use as anticonvulsants YISSUM RES DEV CO (IL) 1995-11-15 CN claimed
EP-1626707-A4 SUSTAINED RELEASE FORMULATION OF N-(2-PROPYLPENTANOYL) GLYCINAMIDE AND RELATED COMPOUNDS YISSUM RES DEV CO (IL) 2009-07-01 EP disclosed
CN-100457720-C 2-propyl valeramide and 2-propyl pentaenuylamide derivative and application used as anti-convulsion medicine YISSUM RES DEV CO (IL) 2009-02-04 CN disclosed
EP-1626707-A2 SUSTAINED RELEASE FORMULATION OF N-(2-PROPYLPENTANOYL) GLYCINAMIDE AND RELATED COMPOUNDS Teva Pharmaceutical Industries Limited (IL) 2006-02-22 EP disclosed
WO-2004071421-A2 SUSTAINED RELEASE FORMULATION OF N-(2-PROPYLPENTANOYL) GLYCINAMIDE AND RELATED COMPOUNDS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-08-26 WO disclosed
CN-1418869-A 2-propyl valeramide and 2-propyl pentaenuylamide derivative and application used as anti-convulsion medicine YISSUN RES DEV CO OF THE HEBRE (IL) 2003-05-21 CN disclosed
CN-1106379-C 2-propylvaleramide and 2-propylpentenamide derivatives and their use as anticonvulsants YISSUM RES DEV CO (IL) 2003-04-23 CN disclosed
CN-1111907-A 2-propylvaleramide and 2-propylpentenamide derivatives and their use as anticonvulsants YISSUM RES DEV CO (IL) 1995-11-15 CN disclosed