SCHEMBL11375592

SCHEMBL11375592

CCCN(CCC)C(=O)n1cnc(S(=O)(=O)CCOC)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.35
AHR P35869 1/20 0.34
RIPK1 Q13546 1/20 0.32
P2RX1 P51575 2/20 0.31
P2RX4 Q99571 2/20 0.31
P2RX3 P56373 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BCHE P06276 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL11367987 0.98 AHR (0.35) DPP4AHRRIPK1CYP1A2CYP3A4
SCHEMBL11373088 0.93 AHR (0.33) DPP4AHR
SCHEMBL11368229 0.93 AHR (0.35) DPP4AHRCYP1A2CYP3A4CYP2C9
SCHEMBL11375462 0.91 DPP4 (0.36) DPP4RIPK1TDP1
SCHEMBL11367360 0.91 AHR (0.33) DPP4AHR
SCHEMBL11366088 0.91 AHR (0.34) DPP4AHRCYP1A2CYP3A4CYP2C9
SCHEMBL11376313 0.90 AHR (0.36) DPP4AHRP2RX1P2RX4P2RX3
SCHEMBL11378942 0.90 DPP4 (0.46) DPP4AHR
SCHEMBL11372664 0.90 DPP4 (0.32) DPP4
SCHEMBL11372627 0.90 THRB (0.34) DPP4AHRCYP1A2CYP3A4CYP2C9

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-4251262-A 1-Carbamoyl-1,2,4-triazole herbicidal agents THE BOOTS COMPANY LIMITED (GB) 1981-02-17 US disclosed