SCHEMBL9114239

SCHEMBL9114239

[CH2]CC=CCc1cccc2occc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EED O75530 6/20 0.40
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
KCNA3 P22001 1/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
FTO Q9C0B1 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRK1 P41145 2/20 0.34
SUZ12 Q15022 3/20 0.32
EZH2 Q15910 3/20 0.32
HDAC1 Q13547 1/20 0.31
NFKB1 P19838 1/20 0.30
FADS1 O60427 1/20 0.30

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
SCHEMBL4563794 0.81 EED (0.43) EEDMTNR1AMTNR1BKCNA3MAOA
SCHEMBL2095736 0.78 EED (0.46) EEDMTNR1AMTNR1BKCNA3MAOA
SCHEMBL446625 0.77 EED (0.43) EEDMTNR1AMTNR1BKCNA3MAOA
SCHEMBL2094789 0.75 EED (0.44) EEDMTNR1AMTNR1BKCNA3MAOA
SCHEMBL9111374 0.75 KCNA3 (0.36) EEDKCNA3MAOAMAOBFTO
SCHEMBL8835248 0.72 EED (0.42) EEDMTNR1AMTNR1BKCNA3MAOA
SCHEMBL3794946 0.71 MTNR1A (0.51) EEDMTNR1AMTNR1BKCNA3MAOA
SCHEMBL957263 0.71 EED (0.46) EEDMTNR1AMTNR1BKCNA3MAOA
SCHEMBL506855 0.71 EED (0.46) EEDMTNR1AMTNR1BKCNA3MAOA
SCHEMBL5357479 0.71 MAOB (0.47) EEDMTNR1AMTNR1BKCNA3MAOA

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
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed