SCHEMBL3690744

SCHEMBL3690744

NC(=O)C1=NN(c2ccc(Cl)cc2)C(c2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.56
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
PRKCZ Q05513 3/20 0.53
CNR2 P34972 3/20 0.53
PDE5A O76074 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ATM Q13315 1/20 0.48

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
SCHEMBL4783592 0.95 MEN1 (0.54) CNR1CA1CA2ALDH1A1LMNA
SCHEMBL4783428 0.93 PRKCZ (0.53) CNR1ALDH1A1LMNAPRKCZPDE5A
SCHEMBL4784951 0.90 MEN1 (0.51) CNR1CA1CA2ALDH1A1PRKCZ
SCHEMBL1023193 0.89 CNR1 (0.58) CNR1CA1CA2ALDH1A1LMNA
SCHEMBL6526992 0.88 CNR1 (0.57) CNR1CA1CA2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL1039418 0.88 CNR1 (0.57) CNR1CA1CA2ALDH1A1LMNA
SCHEMBL675827 0.86 CNR1 (0.54) CNR1CA1CA2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL3559606 0.85 CNR1 (0.53) CNR1CA1CA2ALDH1A1LMNA
SCHEMBL5856375 0.83 CA1 (0.66) CA1CA2ALDH1A1LMNAPDE5A
SCHEMBL4783006 0.83 CNR1 (0.50) CNR1PRKCZCNR2PDE5AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763607-B2 Pharmaceutical compositions comprising CBx cannabinoid receptor modulators and potassium channel modulators SOLVAY PHARMACEUTICALS GMBH (DE) 2010-07-27 US claimed