SCHEMBL4367965

SCHEMBL4367965

Cc1c(C(=O)N[C@@H]2CCCC[C@H]2O)cc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)n1C[C@H]1CCCN1OC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.59
CNR2 P34972 3/20 0.37
CCR2 P41597 3/20 0.36
CHRM3 P20309 3/20 0.33
CHRM1 P11229 3/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
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
SCHEMBL4374615 0.91 CNR1 (0.48) CNR1CNR2CRHR1
SCHEMBL4372545 0.91 CNR1 (0.48) CNR1CNR2CRHR1
SCHEMBL4372526 0.90 CNR1 (0.59) CNR1CNR2CCR2CHRM3CHRM1
SCHEMBL5615341 0.81 CNR1 (0.66) CNR1CNR2CCR2CHRM1TRPV1
SCHEMBL4371310 0.80 CNR1 (0.48) CNR1CNR2TRPV1CRHR1
SCHEMBL4371181 0.80 CNR1 (0.48) CNR1CNR2TRPV1CRHR1
SCHEMBL4371187 0.80 CNR1 (0.48) CNR1CNR2TRPV1CRHR1
SCHEMBL13717371 0.80 CNR1 (0.67) CNR1CNR2CHRM1TRPV1TRPV4
SCHEMBL4368677 0.78 ALDH1A1 (0.42) CNR1CNR2TRPV4
SCHEMBL13717645 0.77 CNR1 (0.70) CNR1CNR2CCR2CHRM1TAS1R3

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