SCHEMBL6663993

SCHEMBL6663993

Nc1ccc(-c2ccccc2)c(C(=O)Nc2ccc3c(c2)CCN3C(=O)Cc2ccccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 5/20 0.50
SMO Q99835 2/20 0.47
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
HTR2C P28335 3/20 0.41
HTR2B P41595 3/20 0.41
HTR2A P28223 2/20 0.41
EIF2AK1 Q9BQI3 2/20 0.41
LCK P06239 1/20 0.40
AURKB Q96GD4 1/20 0.40
SYK P43405 2/20 0.40
CREBBP Q92793 1/20 0.40
RAB9A P51151 1/20 0.39
ROCK2 O75116 1/20 0.39
NPY2R P49146 1/20 0.39
RIPK1 Q13546 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
SCHEMBL6803784 0.91 EIF2AK3 (0.53) EIF2AK3SMOCYP11B1CYP11B2HTR2C
SCHEMBL6665157 0.90 SMO (0.49) EIF2AK3SMOCYP11B1CYP11B2HTR2C
SCHEMBL6664314 0.90 SMO (0.47) EIF2AK3SMOCYP11B1CYP11B2HTR2C
SCHEMBL6661936 0.90 SMO (0.47) EIF2AK3SMOCYP11B1CYP11B2HTR2C
SCHEMBL6664878 0.90 EIF2AK3 (0.48) EIF2AK3SMOCYP11B1CYP11B2HTR2C
SCHEMBL6664409 0.89 EIF2AK3 (0.48) EIF2AK3SMOCYP11B1CYP11B2HTR2C
SCHEMBL6809248 0.89 SMO (0.56) EIF2AK3SMOCYP11B1CYP11B2HTR2C
SCHEMBL6667760 0.89 EIF2AK3 (0.47) EIF2AK3SMOCYP11B1CYP11B2HTR2C
SCHEMBL6668111 0.88 EIF2AK3 (0.47) EIF2AK3SMOCYP11B1CYP11B2HTR2C
SCHEMBL6664835 0.88 EIF2AK3 (0.46) EIF2AK3SMOCYP11B1CYP11B2HTR2C

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