SCHEMBL12284392

SCHEMBL12284392

N=C(N)NCCCCC(=O)N1CCN(C(=O)CCCCC(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.44
ITGB3 P05106 9/20 0.43
ITGA2B P08514 9/20 0.43
ADRA1A P35348 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TGM2 P21980 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GNAI3 P08754 1/20 0.40
GNAI1 P63096 1/20 0.40
ATM Q13315 1/20 0.39
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
PRSS1 P07477 1/20 0.39
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39

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
SCHEMBL21168191 0.87 ATM (0.55) ITGB3ITGA2BALDH1A1SMN1; SMN2TGM2
SCHEMBL14980274 0.85 GNAI3 (0.44) KDM4EALDH1A1SMN1; SMN2TGM2GNAI3
SCHEMBL27336659 0.85 GNAI3 (0.41) SMN1; SMN2TGM2GNAI3GNAI1ATM
SCHEMBL2107302 0.85 PRMT1 (0.59) PRMT1ITGB3ITGA2BADRA1AALDH1A1
SCHEMBL1360401 0.83 PRMT1 (0.63) PRMT1ITGB3ITGA2BADRA1AALDH1A1
SCHEMBL5535128 0.83 PRMT1 (0.63) PRMT1ITGB3ITGA2BADRA1AALDH1A1
SCHEMBL5538332 0.83 PRMT1 (0.63) PRMT1ITGB3ITGA2BADRA1AALDH1A1
Hydrochloric Acid SCHEMBL312731 0.83 PRMT1 (0.57) PRMT1ITGB3ITGA2BADRA1ATSHR
SCHEMBL5533492 0.83 PRMT1 (0.63) PRMT1ITGB3ITGA2BADRA1AALDH1A1
SCHEMBL5533323 0.83 PRMT1 (0.63) PRMT1ITGB3ITGA2BADRA1AALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011133178-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PHENOL-MODIFIED TAPENTADOL PRODRUG PHARMACOFORE, INC (US) 2011-10-27 WO disclosed
WO-2011133179-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE HYDROMORPHONE PRODRUG PHARMACOFORE, INC (US) 2011-10-27 WO disclosed
WO-2011133149-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE OPIOID PRODRUGS AND INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-10-27 WO disclosed
WO-2011133151-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PHENOL-MODIFIED OPIOID PRODRUGS AND INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-10-27 WO disclosed
WO-2011133347-A1 COMPOSITIONS COMPRISING TRYPSIN-CLEAVABLE AMPHETAMINE PRODRUGS AND INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-10-27 WO disclosed
WO-2011133150-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PRODRUGS OF ACTIVE AGENTS AND INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-10-27 WO disclosed
WO-2011133348-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE AMPHETAMINE PRODRUGS AND INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-10-27 WO disclosed
WO-2011031350-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE KETONE-MODIFIED OPIOID PRODRUGS AND OPTIONAL INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-03-17 WO disclosed