SCHEMBL7749347

SCHEMBL7749347

O=C(O)CC1(c2ccc(Cl)c(Cl)c2)CCC(=O)NC1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.43
CYP3A4 P08684 2/20 0.43
CYP17A1 P05093 1/20 0.43
CYP11A1 P05108 1/20 0.43
TBXAS1 P24557 1/20 0.43
PMP22 Q01453 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3A Q14432 1/20 0.43
NFKB1 P19838 1/20 0.43
CXCR3 P49682 1/20 0.40
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 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
SCHEMBL6139175 0.87 CYP19A1 (0.45) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1
Hydrochloric Acid SCHEMBL7505934 0.86 CYP19A1 (0.44) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1
SCHEMBL7505925 0.82 CYP19A1 (0.45) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1
SCHEMBL6248124 0.76 MMP2 (0.42) CYP19A1CXCR3SLC6A4SLC6A3
SCHEMBL6139183 0.72 CYP19A1 (0.47) CYP19A1CXCR3SLC6A4SLC6A3
SCHEMBL6249708 0.71 CXCR3 (0.40) CYP19A1CXCR3
SCHEMBL625149 0.70 SLC6A4 (0.61) SLC6A4SLC6A3
SCHEMBL11810342 0.69 SLC6A4 (0.40) SLC6A4SLC6A3
SCHEMBL7749405 0.69 CYP19A1 (0.45) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1
SCHEMBL6543319 0.68 SLC6A4 (0.45) SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888304-B1 SUBSTITUTED 3-ARYL-3-CARBOXYALKYL GLUTARAMIDES, METHOD FOR PREPARING SAME BY 4-ARYLO-4-CYANOHEPTANE DICARBOXYLIC ACID CYCLISATION, AND USE THEREOF FOR PREPARING 3-ARYL-3-HYDROXYALKYLPIPERIDINES SANOFI SYNTHELABO (FR) 2001-10-04 EP disclosed
US-6242607-B1 SUCH AS 4-CYANO-4-(3,4-DICHLOROPHENYL)HEPTANEDIOIC ACID USED AS ANTAGONISTS OF NEUROKININES SANOFI-SYNTHELABO (FR) 2001-06-05 US disclosed
US-6008360-A Substituted 3-aryl-3-carboxyalkyl glutaramides, method for preparing same by 4-arylo-4-cyanoheptane dicarboxylic acid cyclisation, and use thereof for preparing 3-aryl-3-hydroxyalkylpiperidines SANOFI-SYNTHELABO (FR) 1999-12-28 US disclosed
EP-0888304-A1 SUBSTITUTED 3-ARYL-3-CARBOXYALKYL GLUTARAMIDES, METHOD FOR PREPARING SAME BY 4-ARYLO-4-CYANOHEPTANE DICARBOXYLIC ACID CYCLISATION, AND USE THEREOF FOR PREPARING 3-ARYL-3-HYDROXYALKYLPIPERIDINES SANOFI (FR) 1999-01-07 EP disclosed
WO-1997032852-A1 SUBSTITUTED 3-ARYL-3-CARBOXYALKYL GLUTARAMIDES, METHOD FOR PREPARING SAME BY 4-ARYLO-4-CYANOHEPTANE DICARBOXYLIC ACID CYCLISATION, AND USE THEREOF FOR PREPARING 3-ARYL-3-HYDROXYALKYLPIPERIDINES SANOFI (FR) 1997-09-12 WO disclosed