SCHEMBL4787754

SCHEMBL4787754

CCCCCNC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)c(OCC)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 14/20 0.62
MGLL Q99685 2/20 0.53
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MYOC Q99972 1/20 0.49
EPHX1 P07099 1/20 0.48

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
SCHEMBL4787491 0.94 TBXA2R (0.62) TBXA2RMGLLMEN1MAPTKMT2A
SCHEMBL4787995 0.92 TBXA2R (0.61) TBXA2RMGLLMEN1MAPTKMT2A
SCHEMBL4787488 0.90 TBXA2R (0.61) TBXA2RMGLLMEN1MAPTKMT2A
SCHEMBL4785177 0.89 TBXA2R (0.57) TBXA2RMGLLMEN1MAPTKMT2A
SCHEMBL4785961 0.89 TBXA2R (0.59) TBXA2RMGLLMEN1MAPTKMT2A
SCHEMBL4786555 0.88 TBXA2R (0.56) TBXA2RMGLLMEN1MAPTKMT2A
SCHEMBL4786978 0.88 TBXA2R (0.56) TBXA2RMGLLMEN1MAPTKMT2A
SCHEMBL4785959 0.86 KMT2A (0.67) TBXA2RMGLLMEN1MAPTKMT2A
SCHEMBL4787476 0.85 EPHX1 (0.52) TBXA2RMAPTKMT2AEPHX1
SCHEMBL4787221 0.85 EPHX1 (0.52) TBXA2RMAPTKMT2AEPHX1

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