SCHEMBL20273733

SCHEMBL20273733

CC1c2ccc(-c3cccc(OCc4nn(C)c5ccccc45)c3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ GABRA1 P14867 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ PRMT5 O14744 2/20 0.35
▸ WDR77 Q9BQA1 2/20 0.35
▸ NR1H2 P55055 2/20 0.35
▸ TP53 P04637 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ ELANE P08246 1/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ LTA4H P09960 1/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.32
▸ GSK3B P49841 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
SCHEMBL8414862 0.78 CNR1 (0.48) CNR1CNR2TP53SMN1; SMN2NPC1
SCHEMBL26070967 0.74 CNR1 (0.36) CNR1CNR2GABRA1GABRG2GABRB3
SCHEMBL18006364 0.73 CYP11B1 (0.36) CNR1CNR2GABRA1GABRG2GABRB3
SCHEMBL14474101 0.71 CYP1A2 (0.51) KDM4EALDH1A1MAPTHIF1A
SCHEMBL30174489 0.65 CNR2 (0.41) CNR1CNR2ELANEKDM4E
SCHEMBL14892448 0.63 KDM4E (0.41) CNR1CNR2SMN1; SMN2ELANEKDM4E
SCHEMBL30174419 0.63 AKR1B1 (0.39) CNR1CNR2NPC1RAB9AMAPT
SCHEMBL17910321 0.63 KDM4E (0.41) CNR1CNR2PRMT5KDM4E
SCHEMBL5009531 0.63 L3MBTL1 (0.45) CNR1CNR2SMN1; SMN2KDM4EALDH1A1
SCHEMBL29585194 0.63 KDM4E (0.41) CNR1CNR2PRMT5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3056207-B1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMA CO LTD (JP) 2018-06-20 — — EP disclosed
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