SCHEMBL12555652

SCHEMBL12555652

CCNCCC(N)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 3/20 0.36
▸ SLC15A1 P46059 1/20 0.36
▸ CYP2C19 P33261 2/20 0.33
▸ RRM1 P23921 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ GNAI3 P08754 1/20 0.32
▸ GNAO1 P09471 1/20 0.32
▸ GNAI1 P63096 1/20 0.32
▸ ANPEP P15144 3/20 0.32
▸ RNPEP Q9H4A4 2/20 0.32
▸ DNPEP Q9ULA0 1/20 0.32
▸ GRIK1 P39086 1/20 0.31
▸ SLC1A3 P43003 1/20 0.31
▸ SLC1A2 P43004 1/20 0.31
▸ SLC1A1 P43005 1/20 0.31
▸ GRIK2 Q13002 1/20 0.31

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
SCHEMBL13576256 1.00 DPP7 (0.36) DPP7SLC15A1CYP2C19RRM1MEN1
SCHEMBL21440853 0.86 DPP7 (0.44) DPP7SLC15A1CYP2C19RRM1MEN1
SCHEMBL19293334 0.86 DPP7 (0.44) DPP7SLC15A1CYP2C19RRM1MEN1
SCHEMBL13170359 0.83 SLC1A3 (0.46) KMT2ACYP1A2GRIK1SLC1A3SLC1A2
SCHEMBL17304643 0.83 SLC1A3 (0.46) KMT2ACYP1A2GRIK1SLC1A3SLC1A2
SCHEMBL12513982 0.77 — —
SCHEMBL10126254 0.77 — —
SCHEMBL15903779 0.76 PAOX (0.50) DPP7CYP2C19RRM1MEN1KMT2A
SCHEMBL25660427 0.76 KDM4E (0.46) DPP7RRM1TSHRANPEPRNPEP
SCHEMBL12555685 0.76 — —

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-2332965-A1 Peptide antibiotics and methods for making same BioSource Pharm, Inc. (US) 2011-06-15 — — EP disclosed
US-7498405-B2 Halogen-substituted thienyl compounds GENESOFT PHARMACEUTICALS, INC. (US) 2009-03-03 — — US disclosed
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