SCHEMBL4359883

SCHEMBL4359883

CCCc1nn(Cc2ccc(-c3ccnc(N4CCNCC4)c3)cc2)c(=O)c(C(=O)NCC(=O)O)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.45
METAP2 P50579 2/20 0.41
NMT1 P30419 10/20 0.41
EGLN1 Q9GZT9 1/20 0.37
AOC3 Q16853 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC1 Q13547 1/20 0.36
ADRB2 P07550 1/20 0.35
DRD2 P14416 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1B P35368 1/20 0.35
DRD3 P35462 1/20 0.35
HTR2B P41595 1/20 0.35
HTR6 P50406 1/20 0.35
MRGPRX1 Q96LB2 1/20 0.35
PRKD1 Q15139 1/20 0.35

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
SCHEMBL4363479 0.93 NMT1 (0.40) EGLN3METAP2NMT1ADRB2DRD2
SCHEMBL4358887 0.88 NMT1 (0.41) EGLN3METAP2NMT1EGLN1PRKD1
SCHEMBL3856484 0.88 EGLN3 (0.46) EGLN3METAP2NMT1EGLN1AOC3
SCHEMBL4371854 0.83 EGLN3 (0.54) EGLN3EGLN1
SCHEMBL4365040 0.83 EGLN3 (0.48) EGLN3EGLN1
SCHEMBL4361545 0.81 EGLN3 (0.46) EGLN3EGLN1HDAC3HDAC2
SCHEMBL3853348 0.81 EGLN3 (0.40) EGLN3METAP2NMT1EGLN1HDAC3
SCHEMBL4359069 0.78 EGLN3 (0.51) EGLN3EGLN1HDAC3HDAC2HDAC1
SCHEMBL4359892 0.77 EGLN3 (0.59) EGLN3EGLN1
SCHEMBL4356141 0.77 EGLN3 (0.41) EGLN3EGLN1AOC3HDAC3HDAC2

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-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