SCHEMBL8212339

SCHEMBL8212339

O=C(NC1CCCCC1)c1cnc2c(c1)N=C(c1ccc(F)cc1)c1ccccc1S2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.47
TACR1 P25103 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HTR2B P41595 1/20 0.45
TP53 P04637 5/20 0.44
LMNA P02545 4/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL8212565 0.91 NPC1 (0.44) CNR1TACR1NPC1RAB9AHTR2B
SCHEMBL14043554 0.89 CNR1 (0.59) CNR1NPC1RAB9ATP53LMNA
SCHEMBL13808042 0.88 CNR1 (0.60) CNR1TP53LMNAPOLBSMN1; SMN2
SCHEMBL8212760 0.82 CNR1 (0.52) CNR1NPC1RAB9ATP53LMNA
SCHEMBL13807990 0.80 TP53 (0.55) CNR1TP53LMNAPOLBSMN1; SMN2
SCHEMBL13808007 0.80 TP53 (0.67) CNR1TP53LMNAPOLBSMN1; SMN2
SCHEMBL5064860 0.79 CNR1 (0.57) CNR1TP53LMNAPOLBSMN1; SMN2
SCHEMBL8213517 0.79 CNR1 (0.59) CNR1NPC1RAB9ALMNAPOLB
SCHEMBL13808038 0.79 TP53 (0.56) CNR1TP53LMNAPOLBSMN1; SMN2
SCHEMBL13808039 0.79 CNR1 (0.67) CNR1TP53LMNAPOLBSMN1; 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