SCHEMBL4380229

SCHEMBL4380229

Cc1c(OC(=O)N[C@@H]2CCCC[C@H]2O)cc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)n1C[C@H]1CCCO1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.49
TSHR P16473 1/20 0.42
CNR2 P34972 15/20 0.39
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL4370563 0.92 CNR1 (0.49) CNR1TSHRCNR2
SCHEMBL4367945 0.92 CNR1 (0.49) CNR1TSHRCNR2
SCHEMBL4371410 0.92 CNR1 (0.48) CNR1TSHRCNR2
SCHEMBL4380007 0.92 CNR1 (0.60) CNR1TSHRCNR2KDM4ENPC1
SCHEMBL4374742 0.90 TSHR (0.42) CNR1TSHRCNR2KDM4EALDH1A1
SCHEMBL4376045 0.90 TSHR (0.42) CNR1TSHRCNR2KDM4EALDH1A1
SCHEMBL5615341 0.87 CNR1 (0.66) CNR1TSHRCNR2ALDH1A1TDP1
SCHEMBL4372670 0.86 CNR1 (0.42) CNR1TSHRCNR2KDM4EALDH1A1
SCHEMBL4423703 0.86 CNR1 (0.50) CNR1CNR2
SCHEMBL4371354 0.84 CNR2 (0.44) TSHRCNR2KDM4EALDH1A1GAA

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