SCHEMBL4372095

SCHEMBL4372095

COc1ccc(Cl)cc1-c1nc(OC(=O)NC2CCCCC2)c(C)n1CC1CCCCO1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
CNR1 P21554 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
PTK2 Q05397 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL4371328 0.89 GAA (0.42) GAASMN1; SMN2LMNAHPGDCNR1
SCHEMBL4371355 0.88 CNR1 (0.49) MEN1KMT2AGAASMN1; SMN2LMNA
SCHEMBL4371339 0.81 TP53 (0.43) GAASMN1; SMN2LMNACNR1NPC1
SCHEMBL4375072 0.80 CNR1 (0.49) GAACNR1
SCHEMBL3922484 0.76 CNR1 (0.53) MEN1KMT2AGAASMN1; SMN2LMNA
SCHEMBL3928208 0.76 CNR1 (0.53) MEN1KMT2AGAASMN1; SMN2LMNA
SCHEMBL4370602 0.76 HTR2C (0.38) MEN1KMT2AGAASMN1; SMN2LMNA
SCHEMBL3928212 0.74 CNR1 (0.51) MEN1KMT2AGAASMN1; SMN2LMNA
SCHEMBL3918749 0.72 CNR1 (0.52) MEN1KMT2ASMN1; SMN2LMNAHPGD
SCHEMBL3921257 0.72 CNR1 (0.52) MEN1KMT2ASMN1; SMN2LMNAHPGD

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