SCHEMBL6662686

SCHEMBL6662686

O=C(Nc1ccc2c(c1)CCN2C(=O)Cc1ccccn1)c1cc(OCc2ccccc2)ccc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.52
SMO Q99835 1/20 0.44
HTR2C P28335 5/20 0.44
HTR2B P41595 5/20 0.44
HTR2A P28223 3/20 0.44
EIF2AK3 Q9NZJ5 3/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
MET P08581 3/20 0.40
EIF2AK1 Q9BQI3 1/20 0.39
SYK P43405 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL6800573 0.92 ROCK2 (0.52) ROCK2SMOHTR2CHTR2BHTR2A
SCHEMBL6666579 0.92 EIF2AK3 (0.46) ROCK2SMOHTR2CHTR2BHTR2A
SCHEMBL6667760 0.87 EIF2AK3 (0.47) ROCK2SMOHTR2CHTR2BHTR2A
SCHEMBL6663993 0.86 EIF2AK3 (0.50) ROCK2SMOHTR2CHTR2BHTR2A
SCHEMBL6664314 0.86 SMO (0.47) SMOHTR2CHTR2BHTR2AEIF2AK3
SCHEMBL6665157 0.86 SMO (0.49) SMOHTR2CHTR2BHTR2AEIF2AK3
SCHEMBL6664878 0.86 EIF2AK3 (0.48) SMOHTR2CHTR2BHTR2AEIF2AK3
SCHEMBL6661936 0.86 SMO (0.47) SMOHTR2CHTR2BHTR2AEIF2AK3
SCHEMBL6664409 0.86 EIF2AK3 (0.48) SMOHTR2CHTR2BHTR2AEIF2AK3
SCHEMBL6809248 0.85 SMO (0.56) SMOHTR2CHTR2BHTR2AEIF2AK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed