SCHEMBL8561297

SCHEMBL8561297

CN(C)C(=O)CCCc1cccc(O)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.54
MGLL Q99685 1/20 0.48
DRD2 P14416 5/20 0.47
DRD3 P35462 4/20 0.47
DRD1 P21728 2/20 0.47
DRD4 P21917 1/20 0.47
DRD5 P21918 1/20 0.47
ALOX5 P09917 1/20 0.47
CHRM2 P08172 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM3 P20309 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
OPRK1 P41145 5/20 0.46
OPRM1 P35372 4/20 0.46
OPRD1 P41143 4/20 0.46
SPR P35270 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
SCHEMBL16416541 0.90 DRD2 (0.50) HDAC6DRD2DRD3DRD1DRD4
SCHEMBL5174963 0.84 NPC1 (0.50) HDAC6ALOX5TAAR1
SCHEMBL19932503 0.81 HDAC6 (0.58) HDAC6MGLLDRD2DRD3DRD1
SCHEMBL13323524 0.81 FOLH1 (0.50) ALOX5
Hydrochloric Acid SCHEMBL27651489 0.81 MC4R (0.47) HDAC6ALOX5OPRK1OPRM1
SCHEMBL8493143 0.81 ALOX5 (0.69) HDAC6ALOX5
SCHEMBL12499797 0.80 CTBP2 (0.51) DRD2DRD3DRD1DRD4DRD5
SCHEMBL934635 0.80 HDAC6 (0.59) HDAC6MGLLDRD2DRD1CHRM2
Hydrochloric Acid SCHEMBL27410606 0.80 ALOX5 (0.67) HDAC6ALOX5
SCHEMBL3717612 0.80 HDAC6 (0.66) HDAC6MGLLDRD2DRD1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544488-B1 Substituted phenyl phenol leukotriene antagonists LILLY CO ELI (US) 1998-03-11 EP disclosed
CN-1035001-C Substituted phenyl phenol leukotriene antagonists LILLY CO ELI (US) 1997-05-28 CN disclosed
WO-1996036347-A1 USE OF LEUKOTRIENE ANTAGONISTS FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1996-11-21 WO disclosed
EP-0743064-A1 Leukotriene antagonists for use in the treatment or prevention of alzheimer's disease ELI LILLY AND COMPANY (US) 1996-11-20 EP disclosed
US-5462954-A Antiinflammatory, antiallergens; treating asthma ELI LILLY AND COMPANY (US) 1995-10-31 US disclosed
CN-1088906-A The phenyl phenol leukotriene antagonists that replaces LILLY CO ELI (US) 1994-07-06 CN disclosed
EP-0544488-A2 Substituted phenyl phenol leukotriene antagonists ELI LILLY AND COMPANY (US) 1993-06-02 EP disclosed