SCHEMBL532048

SCHEMBL532048

O=C(N[C@H]1CCCC[C@@H]1O)c1cc(-c2ccc(Cl)cc2)c(OCC(F)(F)F)nc1CC(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 19/20 0.70
CNR2 P34972 2/20 0.53
TACR2 P21452 1/20 0.52

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
SCHEMBL529258 0.90 CNR1 (0.72) CNR1CNR2TACR2
SCHEMBL530331 0.90 CNR1 (0.72) CNR1CNR2TACR2
SCHEMBL11889853 0.90 CNR1 (0.72) CNR1CNR2TACR2
SCHEMBL4237824 0.90 CNR1 (0.72) CNR1CNR2TACR2
SCHEMBL4241624 0.90 CNR1 (0.72) CNR1CNR2TACR2
SCHEMBL2704792 0.89 CNR1 (0.71) CNR1CNR2TACR2
SCHEMBL2703084 0.89 CNR1 (0.71) CNR1CNR2TACR2
SCHEMBL14786093 0.82 CNR1 (0.46) CNR1
SCHEMBL9973792 0.82 CNR1 (0.74) CNR1CNR2TACR2
SCHEMBL9932180 0.82 CNR1 (1.00) CNR1CNR2TACR2

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-2598158-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX Institut de Cardiologie de Montréal (CA) 2013-06-05 EP disclosed
WO-2012012870-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX INSTITUT DE CARDIOLOGIE DE MONTREAL (CA) 2012-02-02 WO disclosed