SCHEMBL3412924

SCHEMBL3412924

CCCCCn1cc(C(=O)O)c(=S)cc1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 19/20 0.67
CNR1 P21554 7/20 0.54

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
SCHEMBL3408324 0.87 CNR2 (0.61) CNR2CNR1
SCHEMBL843912 0.86 CNR2 (0.67) CNR2CNR1
SCHEMBL10990871 0.85 CNR2 (0.66) CNR2CNR1
SCHEMBL859522 0.85 CNR2 (0.66) CNR2CNR1
SCHEMBL858856 0.82 CNR2 (0.64) CNR2CNR1
SCHEMBL3408164 0.81 CNR2 (1.00) CNR2CNR1
SCHEMBL3412914 0.80 CNR2 (1.00) CNR2CNR1
SCHEMBL6394156 0.78 MAOA (0.42) CNR2
SCHEMBL10991207 0.76 CNR2 (0.56) CNR2CNR1
SCHEMBL3408272 0.76 CNR2 (0.64) CNR2CNR1

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
EP-2261211-A1 1,4-dihydropyridine derivatives and their uses Université de Lille 2 Droit et Santé (FR) 2010-12-15 EP disclosed