SCHEMBL7345441

SCHEMBL7345441

COc1ccc2c(c1)CCC(CC(=O)N(C)CC1CCCCC1)C2=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 6/20 0.53
CYP26A1 O43174 3/20 0.53
ACHE P22303 2/20 0.53
METAP1 P53582 3/20 0.51
CYP27A1 Q02318 3/20 0.51
CYP19A1 P11511 1/20 0.51
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42

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
SCHEMBL4622270 0.86 CYP24A1 (0.61) CYP24A1CYP26A1ACHEMETAP1CYP27A1
SCHEMBL7308911 0.83 METAP1 (0.53) CYP24A1CYP26A1ACHEMETAP1CYP27A1
SCHEMBL7344655 0.82 METAP1 (0.45) ACHEMETAP1CYP19A1
Hydrochloric Acid SCHEMBL9426254 0.82 METAP1 (0.54) CYP24A1CYP26A1ACHEMETAP1CYP27A1
SCHEMBL4623999 0.81 CYP24A1 (0.58) CYP24A1CYP26A1ACHEMETAP1CYP27A1
SCHEMBL4621871 0.80 CYP24A1 (0.68) CYP24A1CYP26A1ACHEMETAP1CYP27A1
SCHEMBL7590283 0.79 METAP1 (0.78) CYP24A1CYP26A1METAP1CYP27A1CYP19A1
SCHEMBL8012038 0.79 METAP1 (0.78) CYP24A1CYP26A1METAP1CYP27A1CYP19A1
SCHEMBL7345539 0.79 METAP1 (0.46) ACHEMETAP1CYP19A1
SCHEMBL9855296 0.79 CYP24A1 (0.63) CYP24A1CYP26A1ACHEMETAP1CYP27A1

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-0581677-B1 Cycloalkylalkylamines which are sigma-receptor ligands, process for preparing them and their application in therapy JOUVEINAL INST RECH (FR) 1997-01-08 EP disclosed
US-5326784-A Psychological and gastrointestinal disorders INSTITUT DE RECHERCHE JOUVEINAL (FR) 1994-07-05 US disclosed
EP-0581677-A1 Cycloalkylalkylamines which are sigma-receptor ligands, process for preparing them and their application in therapy INSTITUT DE RECHERCHE JOUVEINAL (I.R.J) (FR) 1994-02-02 EP disclosed