SCHEMBL9320879

SCHEMBL9320879

CCN(CC)C(=O)n1cnc(S(=O)(=O)CC2CCCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.42
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 2/20 0.31
KAT7 O95251 1/20 0.31
ALDH1A1 P00352 4/20 0.31
S1PR1 P21453 2/20 0.30
S1PR3 Q99500 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TSHR P16473 1/20 0.30
XBP1 P17861 1/20 0.30
KAT5 Q92993 1/20 0.30
HTT P42858 1/20 0.30
SLC6A2 P23975 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
SCHEMBL9320225 0.99 DPP4 (0.41) DPP4NPC1RAB9APOLBKAT7
SCHEMBL9320901 0.99 DPP4 (0.41) DPP4NPC1RAB9APOLBKAT7
SCHEMBL9320192 0.97 DPP4 (0.42) DPP4NPC1RAB9APOLBALDH1A1
SCHEMBL9320911 0.95 DPP4 (0.43) DPP4POLBALDH1A1NPSR1KDM4E
SCHEMBL5376492 0.88 DPP4 (0.42) DPP4POLBKAT7ALDH1A1S1PR1
SCHEMBL9320844 0.86 DPP4 (0.33) DPP4NPC1RAB9A
SCHEMBL9321678 0.85 DPP4 (0.58) DPP4
SCHEMBL7465845 0.84 DPP4 (0.38) DPP4NPC1RAB9AALDH1A1KMT2A
SCHEMBL9320182 0.80 DPP4 (0.35) DPP4
SCHEMBL10510171 0.79 DPP4 (0.39) DPP4POLBALDH1A1NPSR1KDM4E

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