SCHEMBL4420518

SCHEMBL4420518

Cc1ccc(C(F)(F)F)cc1-c1cc(OC(=O)N[C@@H]2CCCC[C@H]2O)c(C)n1CC1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.63
CNR2 P34972 6/20 0.40
PTGER1 P34995 1/20 0.37
KCNH2 Q12809 1/20 0.36
NLRP3 Q96P20 1/20 0.36
CRHR1 P34998 4/20 0.36
CHRM1 P11229 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL13602727 0.85 CNR1 (0.84) CNR1CNR2CRHR1CHRM1
SCHEMBL4367945 0.83 CNR1 (0.49) CNR1CNR2TSHR
SCHEMBL4370563 0.83 CNR1 (0.49) CNR1CNR2TSHR
SCHEMBL4380229 0.83 CNR1 (0.49) CNR1CNR2TSHR
SCHEMBL4423703 0.83 CNR1 (0.50) CNR1CNR2PTGER1KCNH2NLRP3
SCHEMBL4380007 0.83 CNR1 (0.60) CNR1CNR2CRHR1TSHR
SCHEMBL4371410 0.81 CNR1 (0.48) CNR1CNR2KCNH2NLRP3CHRM1
SCHEMBL4373566 0.81 CNR1 (0.58) CNR1CNR2CRHR1CHRM1TSHR
SCHEMBL4367963 0.80 CNR1 (0.47) CNR1CNR2KCNH2NLRP3CRHR1
SCHEMBL4371549 0.80 CNR1 (0.57) CNR1CNR2CRHR1

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