SCHEMBL4371328

SCHEMBL4371328

COc1ccc(Cl)cc1-c1nc(OC(=O)NN2CCCCC2)c(C)n1CC1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LIPE Q05469 1/20 0.38
F11 P03951 3/20 0.38
KLKB1 P03952 2/20 0.38
CNR2 P34972 2/20 0.38
CYP3A4 P08684 1/20 0.38
CNR1 P21554 1/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGER1 P34995 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL4372095 0.89 MEN1 (0.43) GAANPC1RAB9ACNR1ALDH1A1
SCHEMBL4375072 0.88 CNR1 (0.49) GAACNR2CNR1
SCHEMBL4373432 0.81 CNR1 (0.41) NPC1RAB9ACNR2CNR1KDM4E
SCHEMBL4379578 0.81 ALDH1A1 (0.44) GAACNR2MAPTALDH1A1KDM4E
SCHEMBL4371355 0.80 CNR1 (0.49) GAANPC1RAB9ACNR2CNR1
SCHEMBL3923420 0.77 CNR1 (0.52) CNR2CNR1MAPTLMNA
SCHEMBL4369561 0.76 KCNH2 (0.41) GAALIPECNR2ALDH1A1KDM4E
SCHEMBL4370602 0.75 HTR2C (0.38) GAANPC1RAB9ACNR2CNR1
SCHEMBL3917725 0.72 CNR1 (0.51) CNR2CNR1
SCHEMBL3920028 0.71 CNR1 (0.51) CNR2CNR1

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