SCHEMBL8103910

SCHEMBL8103910

CCOC(=O)CCCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 13/20 0.80
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
GAA P10253 1/20 0.54
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 3/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL8112613 1.00 FAAH (0.80) FAAHMEN1KMT2AGAACYP1A2
SCHEMBL8104102 1.00 FAAH (0.80) FAAHMEN1KMT2AGAACYP1A2
SCHEMBL8104170 0.93 FAAH (0.70) FAAHMEN1KMT2AGAA
SCHEMBL8104149 0.93 FAAH (0.70) FAAHMEN1KMT2AGAA
SCHEMBL5387755 0.91 FAAH (0.80) FAAHMEN1KMT2AGAA
SCHEMBL5384210 0.91 FAAH (0.80) FAAHMEN1KMT2AGAA
SCHEMBL5388273 0.91 FAAH (0.80) FAAHMEN1KMT2AGAA
SCHEMBL8113970 0.89 FAAH (0.76) FAAHMEN1KMT2A
SCHEMBL8104083 0.89 FAAH (0.65) FAAHMEN1KMT2AGAA
SCHEMBL14532898 0.89 FAAH (1.00) FAAHMEN1KMT2AGAANPSR1

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