SCHEMBL4683963

SCHEMBL4683963

COCCN(C(=O)c1ccc(OC2CCN(C(=O)O)CC2)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 2/20 0.40
ACHE P22303 2/20 0.40
KMT2A Q03164 1/20 0.40
TTR P02766 1/20 0.38
PTGIR P43119 1/20 0.38

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
SCHEMBL4686461 0.89 ALDH1A1 (0.40) KCNH2ALDH1A1MAPTPOLBACHE
SCHEMBL4686937 0.88 POLB (0.43) MAPTPOLBACHEKMT2APTGIR
SCHEMBL4683665 0.82 MEN1 (0.48) ALDH1A1MAPTKMT2A
SCHEMBL4745445 0.81 MCHR1 (0.38) ALDH1A1MAPTPOLBKMT2APTGIR
SCHEMBL4233453 0.78 ACHE (0.39) KCNH2ALDH1A1MAPTKDM4EACHE
SCHEMBL4234325 0.77 ACHE (0.41) KCNH2MAPTPOLBACHEKMT2A
SCHEMBL4233730 0.76 KCNH2 (0.36) KCNH2ALDH1A1MAPTKDM4EPOLB
SCHEMBL2812864 0.76 NPSR1 (0.50) ALDH1A1MAPTKMT2ATTR
SCHEMBL4242218 0.71 ACHE (0.42) MAPTKDM4EPOLBACHEKMT2A
SCHEMBL4233632 0.71 ABCG2 (0.45) ALDH1A1MAPTKMT2A

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