SCHEMBL4785116

SCHEMBL4785116

CCCCCNC(=O)Nc1cc(OCC)c(Oc2ccc([N+](=O)[O-])cc2)cc1F

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 14/20 0.58
MGLL Q99685 2/20 0.51
EPHX2 P34913 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL4787176 0.92 TBXA2R (0.57) TBXA2RMGLLEPHX2
SCHEMBL4813956 0.86 MGLL (0.55) TBXA2RMGLLEPHX2POLB
SCHEMBL4787232 0.86 EPHX2 (0.48) TBXA2REPHX2POLB
SCHEMBL4683388 0.86 HSPB1 (0.45) TBXA2RPOLB
SCHEMBL4683383 0.86 HSPB1 (0.45) TBXA2RPOLB
SCHEMBL4226643 0.85 PKM (0.47) TBXA2RPOLB
SCHEMBL4787754 0.84 TBXA2R (0.62) TBXA2RMGLL
SCHEMBL4786978 0.82 TBXA2R (0.56) TBXA2RMGLL
SCHEMBL4785167 0.81 TBXA2R (0.56) TBXA2RMGLL
SCHEMBL4787491 0.79 TBXA2R (0.62) TBXA2RMGLL

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-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed