SCHEMBL4380450

SCHEMBL4380450

COCc1c(OC(=O)NC2CCCCC2)cc(-c2cc(C(F)(F)F)ccc2Cl)n1C[C@H]1CCCO1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
TSHR P16473 1/20 0.39
CNR2 P34972 7/20 0.38
MRGPRX4 Q96LA9 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADRB2 P07550 1/20 0.37
CRHR1 P34998 2/20 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
SCHEMBL4368758 0.89 CNR1 (0.51) CNR1TSHRCNR2MRGPRX4KDM4E
SCHEMBL4371241 0.88 CNR1 (0.51) CNR1MRGPRX4CRHR1
SCHEMBL4375499 0.82 CNR1 (0.49) CNR1TSHRCNR2MRGPRX4CRHR1
SCHEMBL4374742 0.81 TSHR (0.42) CNR1TSHRCNR2KDM4EALDH1A1
SCHEMBL4368598 0.81 CNR2 (0.42) CNR1TSHRCNR2
SCHEMBL4380007 0.80 CNR1 (0.60) CNR1TSHRCNR2KDM4EADRB2
SCHEMBL4371325 0.79 CNR1 (0.65) CNR1CNR2CRHR1
SCHEMBL4369770 0.78 CNR1 (0.48) CNR1MRGPRX4CRHR1
SCHEMBL4373433 0.74 ALDH1A1 (0.40) TSHRCNR2KDM4EALDH1A1LMNA
SCHEMBL4373566 0.73 CNR1 (0.58) CNR1TSHRCNR2CRHR1

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