SCHEMBL4369770

SCHEMBL4369770

Cc1c(OC(=O)NC2CCCCC2)cc(-c2cc(C(F)(F)F)ccc2Cl)n1CC1COC(C)(C)O1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
CRHR1 P34998 14/20 0.39
CRHR2 Q13324 3/20 0.37
FAAH O00519 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL4372987 0.92 CNR1 (0.39) CNR1CRHR1FAAH
SCHEMBL4371549 0.91 CNR1 (0.57) CNR1CRHR1CRHR2
SCHEMBL4371262 0.88 CNR1 (0.61) CNR1CRHR1CRHR2
SCHEMBL4368758 0.88 CNR1 (0.51) CNR1CRHR1FAAHMRGPRX4
SCHEMBL4375499 0.86 CNR1 (0.49) CNR1CRHR1FAAHMRGPRX4
SCHEMBL4542690 0.83 EPHX1 (0.39) FAAH
SCHEMBL4367963 0.83 CNR1 (0.47) CNR1CRHR1
SCHEMBL4369412 0.80 CNR1 (0.49) CNR1CRHR1CRHR2
SCHEMBL4373504 0.79 CNR1 (0.50) CNR1CRHR1CRHR2
SCHEMBL4368598 0.79 CNR2 (0.42) CNR1

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