SCHEMBL8212565

SCHEMBL8212565

O=C(NC1CCCCC1)c1cnc2c(c1)N=C(c1ccc(F)cc1)c1ccncc1S2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TP53 P04637 6/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
HTR2B P41595 1/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
TACR1 P25103 1/20 0.41
CNR1 P21554 2/20 0.41
IGF1R P08069 1/20 0.40
CDK2 P24941 1/20 0.40
DYRK1B Q9Y463 1/20 0.40

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
SCHEMBL8212339 0.91 CNR1 (0.47) NPC1RAB9ATP53LMNAPOLB
SCHEMBL14043554 0.80 CNR1 (0.59) NPC1RAB9ATP53LMNAPOLB
SCHEMBL13808042 0.79 CNR1 (0.60) TP53LMNAPOLBSMN1; SMN2MAPT
SCHEMBL8204811 0.76 TP53 (0.64) NPC1RAB9ATP53LMNAPOLB
SCHEMBL8212760 0.74 CNR1 (0.52) NPC1RAB9ATP53LMNAPOLB
SCHEMBL8213517 0.72 CNR1 (0.59) NPC1RAB9ALMNAPOLBCNR1
SCHEMBL13807990 0.71 TP53 (0.55) TP53LMNAPOLBSMN1; SMN2MAPT
SCHEMBL13808007 0.71 TP53 (0.67) TP53LMNAPOLBSMN1; SMN2MAPT
SCHEMBL5064860 0.71 CNR1 (0.57) TP53LMNAPOLBSMN1; SMN2MAPT
SCHEMBL13808038 0.70 TP53 (0.56) TP53LMNAPOLBSMN1; SMN2MAPT

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