SCHEMBL8745862

SCHEMBL8745862

[CH2]C(=O)[C@H](N)CCCNC(=N)N

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DDAH1 O94760 1/20 0.40
▸ DPP7 Q9UHL4 2/20 0.40
▸ OTC P00480 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPY4R P50391 8/20 0.37
▸ NPY1R P25929 5/20 0.37
▸ NPY2R P49146 4/20 0.37
▸ NPY5R Q15761 4/20 0.37
▸ GNAI3 P08754 1/20 0.35
▸ GNAO1 P09471 1/20 0.35
▸ GNAI1 P63096 1/20 0.35
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ RRM1 P23921 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
SCHEMBL9190017 1.00 DDAH1 (0.40) DDAH1DPP7OTCALOX15MEN1
SCHEMBL4810722 0.85 DPP7 (0.40) DDAH1DPP7OTCALOX15MEN1
SCHEMBL4810699 0.85 DPP7 (0.40) DDAH1DPP7OTCALOX15MEN1
SCHEMBL304115 0.85 DPP7 (0.42) DDAH1DPP7OTCALOX15MEN1
SCHEMBL5158398 0.85 DPP7 (0.42) DDAH1DPP7OTCALOX15MEN1
SCHEMBL30256813 0.85 DPP7 (0.42) DDAH1DPP7OTCALOX15MEN1
SCHEMBL598710 0.85 DPP7 (0.42) DDAH1DPP7OTCALOX15MEN1
Arginine SCHEMBL27809643 0.84 OTC (0.53) DDAH1OTCALOX15MEN1CYP1A2
Arginine SCHEMBL31389108 0.84 OTC (0.53) DDAH1OTCALOX15MEN1CYP1A2
Arginine SCHEMBL27765536 0.84 OTC (0.53) DDAH1OTCALOX15MEN1CYP1A2

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
EP-0564588-B1 HEXAPEPTIDE ANAPHYLATOXIN-RECEPTOR LIGANDS ABBOTT LAB (US) 1997-02-12 — — EP claimed
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