SCHEMBL14064697

SCHEMBL14064697

C[C@@H](NC(=O)C1(C)CCC(=O)N1)[C@H](Cc1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 18/20 0.49
CNR2 P34972 11/20 0.49
FDFT1 P37268 2/20 0.49

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
SCHEMBL4831399 1.00 CNR1 (0.49) CNR1CNR2FDFT1
SCHEMBL5203472 0.79 RAB9A (0.38) CNR1CNR2FDFT1
SCHEMBL4821601 0.78 CNR1 (0.54) CNR1CNR2FDFT1
SCHEMBL3520706 0.77 FDFT1 (0.48) CNR1CNR2FDFT1
SCHEMBL4825435 0.76 CNR1 (0.57) CNR1CNR2FDFT1
Hydrochloric Acid SCHEMBL4826836 0.75 CNR1 (0.56) CNR1CNR2FDFT1
SCHEMBL4829888 0.75 CNR1 (0.56) CNR1CNR2FDFT1
SCHEMBL4825568 0.75 CNR1 (0.50) CNR1CNR2FDFT1
SCHEMBL14064692 0.75 CNR1 (0.50) CNR1CNR2FDFT1
SCHEMBL3519984 0.74 FDFT1 (0.46) CNR1CNR2FDFT1

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
US-7423067-B2 N-(3,4-diphenyl-2-butyl)cyclopentancarboxamide derivatives such as N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-3-benzoyl-cyclopentane-carboxamide; used for treating conditions including psychological disorders, eating disorders and substance abuse MERCK & CO., INC. (US) 2008-09-09 US disclosed
US-7423067-B2 N-(3,4-diphenyl-2-butyl)cyclopentancarboxamide derivatives such as N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-3-benzoyl-cyclopentane-carboxamide; used for treating conditions including psychological disorders, eating disorders and substance abuse MERCK & CO., INC. (US) 2008-09-09 US disclosed