SCHEMBL4785167

SCHEMBL4785167

CCCCCNC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2C)cc1F

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 17/20 0.56
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MGLL Q99685 1/20 0.47

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
SCHEMBL4813956 0.88 MGLL (0.55) TBXA2RLMNAMAPTHTTMEN1
SCHEMBL4787051 0.85 TBXA2R (0.62) TBXA2RMEN1KMT2AMGLL
SCHEMBL4783512 0.85 EPHX2 (0.49) TBXA2RMEN1KMT2A
SCHEMBL4228345 0.83 MAPT (0.53) TBXA2RLMNAMAPTHTTMEN1
SCHEMBL4786650 0.83 TBXA2R (0.61) TBXA2RMAPTMEN1KMT2A
SCHEMBL4686742 0.83 HTT (0.56) LMNAMAPTHTTMEN1ALDH1A1
SCHEMBL4686748 0.83 HTT (0.56) LMNAMAPTHTTMEN1ALDH1A1
SCHEMBL4785961 0.82 TBXA2R (0.59) TBXA2RMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4787176 0.81 TBXA2R (0.57) TBXA2RMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4785116 0.81 TBXA2R (0.58) 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