SCHEMBL11559092

SCHEMBL11559092

C=CCN(CCC)C(=O)n1cnc(S(=O)(=O)N(CC)CC)n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.49
CRHR1 P34998 1/20 0.32
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TSHR P16473 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MAPT P10636 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
SCHEMBL11559174 0.95 DPP4 (0.49) DPP4CRHR1KDM4EPOLBTDP1
SCHEMBL11561992 0.94 DPP4 (0.47) DPP4CRHR1KDM4ETSHRALDH1A1
SCHEMBL11562752 0.93 DPP4 (0.52) DPP4KDM4EPOLBTDP1TSHR
SCHEMBL11564116 0.93 DPP4 (0.55) DPP4KDM4EPOLBTDP1TSHR
SCHEMBL11565403 0.92 DPP4 (0.47) DPP4TSHR
SCHEMBL11562324 0.92 DPP4 (0.53) DPP4CRHR1KDM4EPOLBTDP1
SCHEMBL11562054 0.92 DPP4 (0.52) DPP4KDM4EPOLBTDP1TSHR
SCHEMBL11563528 0.91 DPP4 (0.46) DPP4TSHR
SCHEMBL11566432 0.91 DPP4 (0.52) DPP4KDM4EPOLBTDP1MAPT
SCHEMBL11564107 0.91 DPP4 (0.47) DPP4KDM4EPOLBTDP1TSHR

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-4148626-A Herbicidal agents THE BOOTS COMPANY LIMITED (GB) 1979-04-10 US disclosed