SCHEMBL9764889

SCHEMBL9764889

NC(=O)N(O)CC(c1cccc2occc12)c1cccc2occc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.41
KCNA3 P22001 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
FTO Q9C0B1 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
EED O75530 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32

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
SCHEMBL9764925 0.81 ALOX5 (0.45) ALOX5MAOB
SCHEMBL9764819 0.73 ALOX5 (0.43) ALOX5
SCHEMBL7250159 0.69 CXCL8 (0.41) KCNA3MAOAMAOBFTOMTNR1A
SCHEMBL10561811 0.68 ALOX5 (0.43) ALOX5MAOB
SCHEMBL4459839 0.68 CYP1A2 (0.42) KCNA3MAOAMAOBFTOEED
SCHEMBL12261467 0.67 HTR2C (0.40) KCNA3MAOAMAOBFTOMTNR1A
SCHEMBL19354174 0.67 MAOA (0.42) KCNA3MAOAMAOBFTOMTNR1A
SCHEMBL9764845 0.67 MAOB (0.42) MAOB
SCHEMBL827158 0.66 ALDH1A1 (0.46) MAOAMAOBFTOMTNR1AMTNR1B
SCHEMBL30669447 0.66 ALDH1A1 (0.46) MAOAMAOBFTOMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422079-A4 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE 1991-08-21 EP disclosed
EP-0422079-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1991-04-17 EP disclosed
WO-1989012636-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1989-12-28 WO disclosed