SCHEMBL8211516

SCHEMBL8211516

CSC(=N[N+](=O)[O-])NC(=O)[C@@H](N)CCC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
ALOX15 P16050 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
KMT2A Q03164 1/20 0.37
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
SLC15A1 P46059 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
SCHEMBL8211505 0.89 DPP4 (0.40) DPP4DPP8DPP9BLMNOS1
SCHEMBL7836508 0.75 MEN1 (0.31) KMT2A
SCHEMBL7836510 0.75 MEN1 (0.31) KMT2A
SCHEMBL8773315 0.72 BLM (0.60) DPP4DPP8DPP9ALOX15BLM
SCHEMBL8801384 0.69 CRBN (0.30)
SCHEMBL8801388 0.69 CRBN (0.30)
SCHEMBL5574087 0.69 BLM (0.56) DPP4DPP8DPP9ALOX15BLM
SCHEMBL28528076 0.69 BLM (0.56) DPP4DPP8DPP9ALOX15BLM
SCHEMBL21035301 0.68 DPP4 (0.57) DPP4DPP8DPP9ALOX15BLM
SCHEMBL3424069 0.68 DPP4 (0.57) DPP4DPP8DPP9ALOX15BLM

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
US-6160126-A Synthetic Intermediates for the preparation of N, N'-Di-substituted isothiourea derivatives and N-cyclic(methyl)-N'-Substituted isothiourea derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-12 US disclosed
US-5696256-A CHEMICAL INTERMEDIATE FOR INSECTICIDES; MITICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-09 US disclosed
EP-0452782-B1 Novel intermediates for preparing guanidine derivatives, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-01-15 EP disclosed
EP-0452782-A1 Novel intermediates for preparing guanidine derivatives, their preparation and use Takeda Chemical Industries, Ltd. (JP) 1991-10-23 EP disclosed