SCHEMBL4624265

SCHEMBL4624265

NC1(OC(=O)O)CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
OPRM1 P35372 1/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
TSHR P16473 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRE P78334 1/20 0.30
PMP22 Q01453 1/20 0.30
GABRA6 Q16445 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
SCHEMBL8772836 0.87 HTR2A (0.31) KDM4EKMT2A
SCHEMBL873141 0.83
SCHEMBL7405510 0.82 KDM4E (0.41) KDM4EKMT2ADPP9DPP7OPRM1
Hydrochloric Acid SCHEMBL11029381 0.80
SCHEMBL2827340 0.78 TSHR (0.32) TSHR
SCHEMBL2833245 0.78
SCHEMBL2831752 0.76 TSHR (0.36) TSHR
SCHEMBL2832088 0.76 TSHR (0.36) TSHR
SCHEMBL1840485 0.76 TSHR (0.36) TSHR
SCHEMBL27586398 0.75 KDM4E (0.36) KDM4EKMT2AOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2518080-B1 Antibiotic peptides AMP THERAPEUTICS GMBH (DE) 2016-05-18 EP claimed
EP-2170928-B1 ANTIBIOTIC PEPTIDES AMP THERAPEUTICS GMBH (DE) 2013-07-03 EP claimed
EP-0958305-B1 INHIBITIONS OF THE INTERACTION BETWEEN P53 AND MDM2 CANCER REC TECH LTD (GB) 2008-06-04 EP claimed