SCHEMBL8204811

SCHEMBL8204811

O=C(NC1CCCCC1)c1ccc2c(c1)N=C(c1ccc(Cl)cc1)c1cnccc1S2

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.64
LMNA P02545 3/20 0.64
POLB P06746 1/20 0.64
MAPT P10636 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.55
CNR1 P21554 6/20 0.51
CYP46A1 Q9Y6A2 1/20 0.47
CNR2 P34972 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TACR2 P21452 1/20 0.42
TACR1 P25103 1/20 0.42

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
SCHEMBL13808007 0.88 TP53 (0.67) TP53LMNAPOLBMAPTSMN1; SMN2
SCHEMBL13808039 0.87 CNR1 (0.67) TP53LMNAPOLBMAPTSMN1; SMN2
SCHEMBL13807982 0.79 CNR1 (0.65) TP53LMNAPOLBMAPTSMN1; SMN2
SCHEMBL13807992 0.79 CNR1 (0.67) TP53LMNAPOLBMAPTSMN1; SMN2
SCHEMBL14043554 0.79 CNR1 (0.59) TP53LMNAPOLBMAPTSMN1; SMN2
SCHEMBL13808045 0.78 CNR1 (0.68) TP53LMNAPOLBMAPTSMN1; SMN2
SCHEMBL13808041 0.78 CNR1 (0.66) TP53LMNAPOLBMAPTSMN1; SMN2
SCHEMBL5057287 0.78 CNR1 (0.62) TP53LMNAPOLBMAPTSMN1; SMN2
SCHEMBL13808042 0.78 CNR1 (0.60) TP53LMNAPOLBMAPTSMN1; SMN2
SCHEMBL14512545 0.78 TP53 (0.68) TP53LMNAPOLBMAPTSMN1; SMN2

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
WO-2008118141-A2 USE OF CANNABINOID MODULATING COMPOUNDS IN COMBINATION WITH OTHER THERAPEUTIC COMPOUNDS FOR ADJUNCTIVE THERAPY ACADIA PHARMACEUTICALS INC. (US) 2008-10-02 WO disclosed
WO-2008048648-A2 CB1-MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-24 WO disclosed