SCHEMBL6300356

SCHEMBL6300356

CC=C1NC(=O)CN(Cc2ccccc2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.55
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
PARP1 P09874 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
CASP3 P42574 1/20 0.38
ELANE P08246 1/20 0.38

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
SCHEMBL1011633 0.77 DDB1 (0.69) EPHX2DDB1CRBNALDH1A1MEN1
SCHEMBL9850086 0.77 DDB1 (0.69) EPHX2DDB1CRBNALDH1A1MEN1
SCHEMBL26112971 0.76 DRD3 (0.44) EPHX2DDB1CRBNALDH1A1MEN1
SCHEMBL26112976 0.76 DRD3 (0.44) EPHX2DDB1CRBNALDH1A1MEN1
SCHEMBL26114530 0.76 DRD3 (0.44) EPHX2DDB1CRBNALDH1A1MEN1
SCHEMBL9850110 0.76 DDB1 (0.67) EPHX2DDB1CRBNALDH1A1MEN1
SCHEMBL14870544 0.75 ALDH1A1 (0.62) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL10649531 0.73 EPHX2 (0.62) EPHX2DDB1CRBNALDH1A1MEN1
SCHEMBL14870547 0.72 ALDH1A1 (0.63) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL24200101 0.71 EPHX2 (1.00) EPHX2DDB1CRBNALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6967201-B1 for increasing activation of the 5-HT2C receptor in mammals; treatment of depression, obesity, bulimia, premenstrual syndrome, alcoholism, tobacco abuse, panic disorder ELI LILLY AND COMPANY (US) 2005-11-22 US disclosed
EP-1204654-B1 BENZOFURYLPIPERAZINES: 5-HT2C SEROTONIN RECEPTOR AGONISTS LILLY CO ELI (US) 2003-07-23 EP disclosed