SCHEMBL4371268

SCHEMBL4371268

Cc1c(OC(=O)N[C@@H]2CCCC[C@H]2O)cc(-c2cc(C(F)(F)F)ccc2Cl)n1C[C@@]1(C)CCCO1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.54
CNR2 P34972 2/20 0.42
TRPV1 Q8NER1 1/20 0.36
CRHR1 P34998 6/20 0.33
TSHR P16473 1/20 0.33
CHRM1 P11229 1/20 0.32
KCNH2 Q12809 1/20 0.32
NLRP3 Q96P20 1/20 0.32
MDM2 Q00987 1/20 0.31
CRHR2 Q13324 1/20 0.31

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
SCHEMBL4372051 1.00 CNR1 (0.54) CNR1CNR2TRPV1CRHR1TSHR
SCHEMBL4380007 0.84 CNR1 (0.60) CNR1CNR2TRPV1CRHR1TSHR
SCHEMBL4371549 0.84 CNR1 (0.57) CNR1CNR2TRPV1CRHR1CRHR2
SCHEMBL4373566 0.82 CNR1 (0.58) CNR1CNR2TRPV1CRHR1TSHR
SCHEMBL4372633 0.79 CNR1 (0.46) CNR1CRHR1TSHR
SCHEMBL4367898 0.77 CNR1 (0.46) CNR1CNR2CRHR1MDM2
SCHEMBL4367893 0.77 CNR1 (0.46) CNR1CNR2CRHR1MDM2
SCHEMBL4367901 0.77 CNR1 (0.46) CNR1CNR2CRHR1MDM2
SCHEMBL4367963 0.76 CNR1 (0.47) CNR1CNR2TRPV1CRHR1TSHR
SCHEMBL4420518 0.76 CNR1 (0.63) CNR1CNR2CRHR1TSHRCHRM1

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-1749002-B1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY HOFFMANN LA ROCHE (CH) 2009-05-27 EP claimed