SCHEMBL8104033

SCHEMBL8104033

CCCCCCCCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCC(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.52
PLA2G2A P14555 1/20 0.47
PLA2G4B P0C869 3/20 0.47
RXFP1 Q9HBX9 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
PIN1 Q13526 2/20 0.44
PTGIR P43119 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
SCHEMBL8104083 0.92 FAAH (0.65) FAAHPLA2G2ARXFP1
SCHEMBL8112509 0.87 FAAH (0.55) FAAHPTGIR
SCHEMBL8103885 0.85 FAAH (0.61) FAAHPTGIR
SCHEMBL8104252 0.85 FAAH (0.61) FAAHPTGIR
SCHEMBL8104725 0.85 FAAH (0.61) FAAHPTGIR
SCHEMBL8113624 0.85 FAAH (0.61) FAAHPTGIR
SCHEMBL8113642 0.82 PIN1 (0.60) FAAHPLA2G2ARXFP1PIN1
SCHEMBL27207545 0.82 BCHE (0.58) FAAH
SCHEMBL8113769 0.82 FAAH (0.56) FAAHPTGIR
SCHEMBL27241995 0.82 BCHE (0.58) FAAH

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-0626969-B1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORP (US) 2000-05-24 EP disclosed
US-5663053-A COENZYME A TRANSACYLASE FOR SCREENING SMITHKLINE BEECHAM CORPORATION (US) 1997-09-02 US disclosed
US-5648373-A CoA-IT and PAF inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1997-07-15 US disclosed
EP-0626969-A4 CoA-IT AND PAF INHIBITORS. SMITHKLINE BEECHAM CORP (US) 1995-04-19 EP disclosed
EP-0626969-A1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-12-07 EP disclosed
WO-1993016674-A1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-09-02 WO disclosed
EP-0550502-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992004330-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-03-19 WO disclosed