SCHEMBL8450448

SCHEMBL8450448

COc1ccc2c(c1)c(O)nn2Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.51
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
PTGER4 P35408 2/20 0.47
PDE5A O76074 1/20 0.46
NPBWR1 P48145 1/20 0.46
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
GRIK2 Q13002 1/20 0.45
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PLA2G2A P14555 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44

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 0.90 CNR1 (0.52) AKR1C3CNR1CNR2PTGER4PDE5A
SCHEMBL8446764 0.87 CNR1 (0.58) CNR1CNR2PTGER4PDE5AFAAH
SCHEMBL8448874 0.86 MAPT (0.49) AKR1C3CNR1CNR2PTGER4PDE5A
SCHEMBL8522667 0.85 PTGER4 (0.58) PTGER4NPC1RAB9A
SCHEMBL8447799 0.85 FAAH (0.49) CNR1CNR2PTGER4PDE5ANPBWR1
SCHEMBL8441605 0.85 PTGS2 (0.50) CNR1CNR2PTGER4PDE5AMAPT
SCHEMBL6966885 0.85 KDM4E (0.50) AKR1C3CNR1CNR2PTGER4MAPT
SCHEMBL8445572 0.84 LMNA (0.51) AKR1C3PTGER4MAPTKMT2APLA2G2A
SCHEMBL8627206 0.84 BUB1 (0.44) CNR1CNR2PTGER4PDE5AMAPT
SCHEMBL8521077 0.83 CCR9 (0.47) AKR1C3CNR1CNR2PTGER4PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946546-A1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 1999-10-06 EP 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 claimed
US-5776932-A ANTIALLERGENS, ANTIASTHMATICS, ANTIINFLAMMATORY AGENTS AND MODULATORS ARZNEIMITTELWERK DRESDEN G.M.B.H. (DE) 1998-07-07 US claimed
WO-1998022459-A1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 1998-05-28 WO claimed
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 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