SCHEMBL3408324

SCHEMBL3408324

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

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.61
CNR1 P21554 6/20 0.52
MEN1 O00255 1/20 0.49
GLA P06280 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL3408272 0.87 CNR2 (0.64) CNR2CNR1
SCHEMBL3412924 0.87 CNR2 (0.67) CNR2CNR1
SCHEMBL3407492 0.86 CNR2 (0.63) CNR2CNR1
SCHEMBL3410243 0.84 CNR2 (0.60) CNR2CNR1MEN1GLAKMT2A
SCHEMBL11329850 0.83 NPSR1 (0.54) MEN1GLAKMT2ANPSR1ALDH1A1
SCHEMBL11324500 0.82 NPSR1 (0.53) MEN1GLAKMT2ANPSR1ALDH1A1
SCHEMBL28822165 0.77 CNR1 (0.52) CNR2CNR1MEN1GLAKMT2A
SCHEMBL859605 0.76 CNR2 (0.66) CNR2CNR1
SCHEMBL3408164 0.76 CNR2 (1.00) CNR2CNR1
SCHEMBL843912 0.76 CNR2 (0.67) 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