SCHEMBL4968829

SCHEMBL4968829

O=C(Nc1ccc(OCCN2CCCCC2)cc1)c1cccc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.69
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
MCHR1 Q99705 3/20 0.59
KDR P35968 4/20 0.58
HRH3 Q9Y5N1 3/20 0.57
BCHE P06276 1/20 0.55
KCNH2 Q12809 1/20 0.53
EPHX2 P34913 1/20 0.53
FGFR1 P11362 1/20 0.52
DEGS1 O15121 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
PSMB1 P20618 1/20 0.51
PSMB5 P28074 1/20 0.51
PSMB2 P49721 1/20 0.51

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
SCHEMBL4967552 0.83 KDR (0.59) GCGRMCHR1KDRHRH3EPHX2
SCHEMBL4969245 0.81 MCHR1 (0.70) GCGRMEN1KMT2AMCHR1KDR
Oxalic Acid SCHEMBL5449181 0.78 MEN1 (0.54) GCGRMEN1KMT2AHRH3EPHX2
SCHEMBL7869890 0.78 LTA4H (0.61) MEN1KMT2AMCHR1KDRHRH3
SCHEMBL10960859 0.78 KMT2A (1.00) MEN1KMT2ADEGS1NPC1RAB9A
SCHEMBL13438292 0.77 GCGR (0.64) GCGRMEN1KMT2AHRH3BCHE
SCHEMBL2111310 0.77 GCGR (0.64) GCGRBCHE
SCHEMBL7450714 0.77 GCGR (0.70) GCGRHRH3BCHEKCNH2PSMB1
SCHEMBL3581039 0.77 GCGR (0.64) GCGRMEN1KMT2AHRH3BCHE
SCHEMBL13438290 0.77 GCGR (0.64) GCGRMEN1KMT2AHRH3BCHE

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-1954670-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX Inc. (US) 2008-08-13 EP disclosed
WO-2007062230-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2007-05-31 WO disclosed