SCHEMBL8447799

SCHEMBL8447799

COc1ccc2c(c1)c(O)nn2Cc1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.49
▸ NPBWR1 P48145 1/20 0.47
▸ CNR2 P34972 3/20 0.46
▸ CNR1 P21554 2/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ MAPT P10636 3/20 0.45
▸ PTGER4 P35408 2/20 0.45
▸ TP53 P04637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ PTGDR2 Q9Y5Y4 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CYP19A1 P11511 1/20 0.41
▸ PDE5A O76074 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL8448659 0.87 CNR1 (0.52) CNR2CNR1KMT2AMEN1MAPT
SCHEMBL8450448 0.85 AKR1C3 (0.51) FAAHNPBWR1CNR2CNR1KMT2A
SCHEMBL8445101 0.84 NPBWR1 (0.46) NPBWR1CNR2CNR1KMT2AMEN1
SCHEMBL8448874 0.84 MAPT (0.49) NPBWR1CNR2CNR1KMT2AMEN1
SCHEMBL8310022 0.83 CCR2 (0.50) CNR2CNR1KMT2AMEN1MAPT
SCHEMBL6966885 0.82 KDM4E (0.50) CNR2CNR1KMT2AMEN1MAPT
SCHEMBL8441605 0.82 PTGS2 (0.50) CNR2CNR1KMT2AMAPTPTGER4
SCHEMBL8447012 0.82 POLB (0.45) KMT2AMEN1MAPTTP53L3MBTL1
SCHEMBL8446764 0.82 CNR1 (0.58) FAAHCNR2CNR1KMT2AMAPT
SCHEMBL7638939 0.82 CYSLTR1 (0.52) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5776932-A ANTIALLERGENS, ANTIASTHMATICS, ANTIINFLAMMATORY AGENTS AND MODULATORS ARZNEIMITTELWERK DRESDEN G.M.B.H. (DE) 1998-07-07 — — US claimed
EP-0888307-A1 1,3,5-TRISUBSTITUTED INDAZOLE DERIVATIVES WITH AN ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING ACTION ARZNEIMITTELWERK DRESDEN GMBH (DE) 1999-01-07 — — EP disclosed
US-5776932-A ANTIALLERGENS, ANTIASTHMATICS, ANTIINFLAMMATORY AGENTS AND MODULATORS ARZNEIMITTELWERK DRESDEN G.M.B.H. (DE) 1998-07-07 — — US disclosed
WO-1997034874-A1 1,3,5-TRISUBSTITUTED INDAZOLE DERIVATIVES WITH AN ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING ACTION ARZNEIMITTELWERK DRESDEN GMBH (DE) 1997-09-25 — — WO disclosed
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