SCHEMBL8103913

SCHEMBL8103913

CCOC(=C=O)CCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.61
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
BCHE P06276 2/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
PLA2G4A P47712 1/20 0.43

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
SCHEMBL8843728 1.00 FAAH (0.61) FAAHMEN1KMT2ABCHECNR1
SCHEMBL8843828 1.00 FAAH (0.61) FAAHMEN1KMT2ABCHECNR1
SCHEMBL8843705 0.93 FAAH (0.54) FAAHMEN1KMT2ABCHE
SCHEMBL8112194 0.93 FAAH (0.54) FAAHMEN1KMT2ABCHE
SCHEMBL8104102 0.86 FAAH (0.80) FAAHMEN1KMT2A
SCHEMBL8103910 0.86 FAAH (0.80) FAAHMEN1KMT2A
SCHEMBL8112613 0.86 FAAH (0.80) FAAHMEN1KMT2A
SCHEMBL8843453 0.81 FAAH (0.47) FAAHMEN1KMT2A
SCHEMBL8844406 0.81 FAAH (0.47) FAAHMEN1KMT2A
SCHEMBL8103885 0.81 FAAH (0.61) FAAHBCHE

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 3 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