SCHEMBL9320901

SCHEMBL9320901

CCN(CC)C(=O)n1cnc(S(=O)(=O)CC2CCCCCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.41
POLB P06746 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KAT7 O95251 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 3/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
TSHR P16473 1/20 0.32
XBP1 P17861 1/20 0.32
HTT P42858 2/20 0.32
KAT5 Q92993 1/20 0.32
LMNA P02545 1/20 0.31
HIF1A Q16665 1/20 0.31
KAT8 Q9H7Z6 1/20 0.31
KMT2A Q03164 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 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
SCHEMBL9320225 1.00 DPP4 (0.41) DPP4POLBALDH1A1KAT7NPC1
SCHEMBL9320879 0.99 DPP4 (0.42) DPP4POLBALDH1A1KAT7NPC1
SCHEMBL9320192 0.96 DPP4 (0.42) DPP4POLBALDH1A1NPC1RAB9A
SCHEMBL9320911 0.94 DPP4 (0.43) DPP4POLBALDH1A1NPSR1LMNA
SCHEMBL5376492 0.89 DPP4 (0.42) DPP4POLBALDH1A1KAT7NPSR1
SCHEMBL9321678 0.86 DPP4 (0.58) DPP4
SCHEMBL9320844 0.85 DPP4 (0.33) DPP4NPC1RAB9A
SCHEMBL7465845 0.83 DPP4 (0.38) DPP4ALDH1A1NPC1RAB9AKAT8
SCHEMBL11561421 0.80 DPP4 (0.41) DPP4ALDH1A1NPC1NPSR1HTT
SCHEMBL9320182 0.79 DPP4 (0.35) DPP4

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
US-5308830-A Low dosage; nonphytotoxic to crops; pre- and postemergence ROHM AND HAAS COMPANY (US) 1994-05-03 US claimed
US-5308830-A Low dosage; nonphytotoxic to crops; pre- and postemergence ROHM AND HAAS COMPANY (US) 1994-05-03 US disclosed