SCHEMBL18554304

SCHEMBL18554304

O=C(Nc1cccc(Br)n1)[C@@H]1CN1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CFD P00746 17/20 0.47
HPGD P15428 1/20 0.46
CYP2C9 P11712 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CYP3A4 P08684 1/20 0.41

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
SCHEMBL18554306 1.00 CFD (0.47) CFDHPGDCYP2C9SLC6A2SLC6A4
SCHEMBL18555480 0.89 CFD (0.47) CFDHPGDCYP2C9SLC6A2SLC6A4
SCHEMBL28928082 0.87 CFD (0.47) CFDCYP2C9SLC6A2SLC6A4SLC6A3
SCHEMBL18554828 0.87 CFD (0.60) CFD
SCHEMBL17024892 0.87 CFD (0.60) CFD
SCHEMBL23885399 0.87 CFD (0.47) CFDCYP2C9SLC6A2SLC6A4SLC6A3
SCHEMBL18554933 0.86 CFD (0.53) CFDHPGDCYP2C9SLC6A2SLC6A4
SCHEMBL18554936 0.86 CFD (0.53) CFDHPGDCYP2C9SLC6A2SLC6A4
SCHEMBL23885086 0.84 CFD (0.45) CFDCYP2C9SLC6A2SLC6A4SLC6A3
SCHEMBL23885158 0.84 CFD (0.48) CFDSLC6A2SLC6A4SLC6A3

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
WO-2017035411-A1 ETHER COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 WO disclosed