SCHEMBL20192734

SCHEMBL20192734

NCCNC(=O)CCCOC[C@H](N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ TLR2 O60603 4/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NOD1 Q9Y239 1/20 0.38
▸ OTC P00480 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ GSR P00390 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.35
▸ P2RY10 O00398 1/20 0.34
▸ GPR174 Q9BXC1 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LTA4H P09960 1/20 0.33
▸ MMP2 P08253 1/20 0.33

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
SCHEMBL16447017 0.81 NOS3 (0.42) NOS3NOS1NOS2TLR2SMN1; SMN2
SCHEMBL20192884 0.80 NOS3 (0.44) NOS3NOS1NOS2TLR2OTC
SCHEMBL16447373 0.79 NOS3 (0.42) NOS3NOS1NOS2TLR2SMN1; SMN2
SCHEMBL16446597 0.79 TSHR (0.53) NOS3NOS1NOS2TLR2SMN1; SMN2
SCHEMBL31369833 0.79 GSR (0.55) NOS2NOD1OTCTSHRGSR
SCHEMBL1316628 0.78 GSR (0.52) NOS3NOS1NOS2TLR2GSR
SCHEMBL4018310 0.78 GSR (0.52) NOS3NOS1NOS2TLR2GSR
SCHEMBL20192952 0.77 NOS3 (0.42) NOS3NOS1NOS2SMN1; SMN2GSR
Hydrochloric Acid SCHEMBL21332552 0.77 NOS3 (0.50) NOS3NOS1NOS2TLR2GSR
Hydrochloric Acid SCHEMBL21332553 0.77 NOS3 (0.50) NOS3NOS1NOS2TLR2GSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981908-B2 Amino acid derivatives MEDIMMUNE LIMITED (GB) 2018-05-29 — — US disclosed
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