SCHEMBL8828397

SCHEMBL8828397

COc1ccc(CCN(C)CCCNC(=O)C/C=C/c2ccc3c(c2)OCO3)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
HTR2A P28223 13/20 0.51
HTR2C P28335 13/20 0.51
HTR2B P41595 13/20 0.51
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADRB1 P08588 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
DRD2 P14416 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
SLC6A2 P23975 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR1D P28221 1/20 0.46

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
SCHEMBL9045792 0.95 L3MBTL1 (0.53) L3MBTL1HTR2AHTR2CHTR2BKDM4E
SCHEMBL8828131 0.90 CYP3A4 (0.52) KDM4EALDH1A1HPGDGAAOPRM1
SCHEMBL9468388 0.88 KDM4E (0.50) L3MBTL1HTR2AHTR2CHTR2BKDM4E
SCHEMBL8828277 0.88 KDM4E (0.66) L3MBTL1KDM4EALDH1A1HPGDGAA
SCHEMBL8828235 0.85 MAPT (0.56) KDM4EALDH1A1HPGDSMN1; SMN2OPRM1
SCHEMBL8828147 0.85 MAPT (0.56) ALDH1A1HPGDGAAOPRM1
SCHEMBL8828659 0.84 CDK8 (0.49) KDM4EALDH1A1HPGDGAAOPRM1
SCHEMBL8828272 0.84 OPRM1 (0.47) ALDH1A1HPGDGAAOPRM1OPRK1
SCHEMBL8828188 0.84 LMNA (0.49) ALDH1A1GAASMN1; SMN2OPRM1
SCHEMBL8828274 0.84 OPRM1 (0.49) KDM4EALDH1A1HPGDGAAOPRM1

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-0711287-A4 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO INC (US) 1996-08-28 EP claimed
EP-0711287-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO. INC. (US) 1996-05-15 EP claimed
US-5382595-A Antiischemic agents EISAI CO., LTD. (JP) 1995-01-17 US claimed
EP-0344577-A2 Butenoic or propenoic acid derivatives Eisai Co., Ltd. (JP) 1989-12-06 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
US-5177089-A Antiischemic agent, vasodilator EISAI CO., LTD. (JP) 1993-01-05 US disclosed
US-5047417-A Butenoic or propenoic acid derivatives EISAI CO. LTD. (JP) 1991-09-10 US disclosed
EP-0344577-A2 Butenoic or propenoic acid derivatives Eisai Co., Ltd. (JP) 1989-12-06 EP disclosed