SCHEMBL8085018

SCHEMBL8085018

CCCCCOc1cc2c(cc1OC)CCN(CCc1ccc(OC(C)=O)cc1)C2=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.54
ABCB1 P08183 3/20 0.43
GPR84 Q9NQS5 1/20 0.42
HTR2A P28223 4/20 0.41
HTR2C P28335 4/20 0.41
HTR2B P41595 4/20 0.41
HTR1A P08908 3/20 0.41
HTR7 P34969 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL8077971 0.88 CNR2 (0.68) CNR2GPR84HTR2AHTR2CHTR2B
SCHEMBL7029384 0.82 CNR2 (0.79) CNR2
SCHEMBL8089390 0.73 CNR2 (0.53) CNR2
SCHEMBL4409616 0.70 CNR2 (1.00) CNR2MEN1KMT2A
SCHEMBL9666604 0.70 MEN1 (0.61) ABCB1HTR1AMEN1KMT2A
SCHEMBL8089424 0.70 CNR2 (0.81) CNR2
SCHEMBL4417635 0.70 CNR2 (0.77) CNR2ABCB1HTR2AHTR2CHTR1A
SCHEMBL949872 0.70 PDE4B (0.45) CNR2GPR84HTR2AHTR2CHTR2B
SCHEMBL13178635 0.69 CYP11B1 (0.48) GPR84HTR2AHTR2CHTR2BHTR1A
SCHEMBL4409562 0.69 CNR2 (0.84) CNR2ABCB1MEN1KMT2A

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
US-6017919-A Compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2000-01-25 US disclosed
EP-0887340-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 1998-12-30 EP disclosed