SCHEMBL4363479

SCHEMBL4363479

CCCc1nn(Cc2cccc(-c3ccnc(N4CCNCC4)c3)c2)c(=O)c(C(=O)NCC(=O)O)c1O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 2/20 0.40
METAP2 P50579 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
SLC5A1 P13866 8/20 0.37
CHRM3 P20309 6/20 0.36
ITGA2B P08514 1/20 0.36
ADRB2 P07550 1/20 0.36
DRD2 P14416 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1B P35368 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36
HTR6 P50406 1/20 0.36
MRGPRX1 Q96LB2 1/20 0.36

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
SCHEMBL4359883 0.93 EGLN3 (0.45) NMT1METAP2EGLN3ADRB2DRD2
SCHEMBL4358887 0.88 NMT1 (0.41) NMT1METAP2EGLN3
SCHEMBL3853348 0.88 EGLN3 (0.40) NMT1METAP2EGLN3CHRM3ITGA2B
SCHEMBL4356141 0.83 EGLN3 (0.41) EGLN3
SCHEMBL3856484 0.81 EGLN3 (0.46) NMT1METAP2EGLN3ADRB2DRD2
SCHEMBL4361363 0.78 PTGDR2 (0.48) EGLN3
SCHEMBL3848003 0.77 NMT1 (0.37) NMT1METAP2EGLN3
SCHEMBL4365040 0.76 EGLN3 (0.48) EGLN3
SCHEMBL4361545 0.75 EGLN3 (0.46) EGLN3
SCHEMBL4371854 0.75 EGLN3 (0.54) EGLN3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124565-A2 N-SUBSTITUTED GLYCINE DERIVATIVES: HYDROXYLASE INHIBITORS Smithkline Beecham Corporation (US) 2009-12-02 EP claimed
WO-2008089052-A2 N-SUBSTITUTED GLYCINE DERIVATIVES: HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-24 WO claimed
EP-2124565-A2 N-SUBSTITUTED GLYCINE DERIVATIVES: HYDROXYLASE INHIBITORS Smithkline Beecham Corporation (US) 2009-12-02 EP disclosed
WO-2008089052-A2 N-SUBSTITUTED GLYCINE DERIVATIVES: HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-24 WO disclosed