SCHEMBL4423703

SCHEMBL4423703

Cc1c(OC(=O)N[C@@H]2CCCC[C@H]2O)cc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)n1CCC1CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.50
CNR2 P34972 2/20 0.41
KCNH2 Q12809 1/20 0.35
NLRP3 Q96P20 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
CHRM3 P20309 3/20 0.34
CHRM1 P11229 2/20 0.34
PTGER1 P34995 1/20 0.34
TRPV4 Q9HBA0 1/20 0.32
CRHR1 P34998 1/20 0.32

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
SCHEMBL4380229 0.86 CNR1 (0.49) CNR1CNR2
SCHEMBL13717371 0.86 CNR1 (0.67) CNR1CNR2TRPV1CHRM1TRPV4
SCHEMBL4371410 0.84 CNR1 (0.48) CNR1CNR2KCNH2NLRP3TRPV1
SCHEMBL4420518 0.83 CNR1 (0.63) CNR1CNR2KCNH2NLRP3CHRM1
SCHEMBL4370563 0.78 CNR1 (0.49) CNR1CNR2
SCHEMBL4367945 0.78 CNR1 (0.49) CNR1CNR2
SCHEMBL4380007 0.77 CNR1 (0.60) CNR1CNR2TRPV1CRHR1
SCHEMBL13717174 0.77 CNR1 (0.81) CNR1CNR2TRPV1CRHR1
SCHEMBL3929874 0.76 CNR1 (0.54) CNR1TRPV4CRHR1
SCHEMBL4375089 0.76 CNR1 (0.39) CNR1CHRM3TRPV4

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-1583742-B1 CB 1 RECEPTOUR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-12-02 EP claimed