SCHEMBL7308911

SCHEMBL7308911

COc1ccc2c(c1)CCC(CCN(C)CC1CCCCC1)C2=O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 3/20 0.53
CYP24A1 Q07973 6/20 0.53
CYP27A1 Q02318 3/20 0.53
CYP26A1 O43174 3/20 0.53
CYP19A1 P11511 2/20 0.53
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
ACHE P22303 1/20 0.50

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
Hydrochloric Acid SCHEMBL9426254 0.99 METAP1 (0.54) METAP1CYP24A1CYP27A1CYP26A1CYP19A1
SCHEMBL7345441 0.83 CYP24A1 (0.53) METAP1CYP24A1CYP27A1CYP26A1CYP19A1
SCHEMBL7303893 0.82 CYP19A1 (0.49) METAP1CYP19A1ACHE
SCHEMBL8012038 0.81 METAP1 (0.78) METAP1CYP24A1CYP27A1CYP26A1CYP19A1
SCHEMBL7590283 0.81 METAP1 (0.78) METAP1CYP24A1CYP27A1CYP26A1CYP19A1
Hydrochloric Acid SCHEMBL9425569 0.81 CYP19A1 (0.48) METAP1CYP19A1ACHE
Hydrochloric Acid SCHEMBL10341505 0.80 METAP1 (0.78) METAP1CYP24A1CYP27A1CYP26A1CYP19A1
SCHEMBL7303491 0.78 CYP19A1 (0.50) METAP1CYP19A1ACHE
Hydrochloric Acid SCHEMBL9426786 0.77 CYP19A1 (0.49) METAP1CYP19A1ACHE
SCHEMBL7590969 0.77 METAP1 (0.74) METAP1CYP24A1CYP27A1CYP26A1CYP19A1

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 2 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
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