SCHEMBL9320192

SCHEMBL9320192

CCN(CC)C(=O)n1cnc(S(=O)(=O)CC2CCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.42
POLB P06746 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 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
ALDH1A1 P00352 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
RIPK1 Q13546 1/20 0.30
KAT8 Q9H7Z6 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
SCHEMBL9320879 0.97 DPP4 (0.42) DPP4POLBNPC1RAB9AS1PR1
SCHEMBL9320901 0.96 DPP4 (0.41) DPP4POLBNPC1RAB9AS1PR1
SCHEMBL9320225 0.96 DPP4 (0.41) DPP4POLBNPC1RAB9AS1PR1
SCHEMBL9320911 0.95 DPP4 (0.43) DPP4POLBNPSR1KDM4EALDH1A1
SCHEMBL5376492 0.85 DPP4 (0.42) DPP4POLBS1PR1S1PR3NPSR1
SCHEMBL9320844 0.84 DPP4 (0.33) DPP4NPC1RAB9A
SCHEMBL9321678 0.82 DPP4 (0.58) DPP4
SCHEMBL7465845 0.82 DPP4 (0.38) DPP4NPC1RAB9AALDH1A1KMT2A
SCHEMBL10510171 0.79 DPP4 (0.39) DPP4POLBNPSR1KDM4EALDH1A1
SCHEMBL11561421 0.78 DPP4 (0.41) DPP4NPC1NPSR1KDM4EALDH1A1

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