SCHEMBL16197842

SCHEMBL16197842

CN(CC(=O)O)C(N)=O.O=C(O)CNCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
CNR1 P21554 6/20 0.41
CNR2 P34972 5/20 0.41
EPHX2 P34913 1/20 0.41
CASR P41180 2/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
KCNH2 Q12809 2/20 0.40
ALOX5 P09917 1/20 0.40
DPP4 P27487 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ABCB1 P08183 1/20 0.38

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
SCHEMBL16197681 0.86 ALOX5 (0.39) MTNR1AMTNR1BHTR2AHRH1ALOX5
SCHEMBL329180 0.83 MTNR1A (0.58) MTNR1AMTNR1BCNR1CNR2EPHX2
SCHEMBL16197845 0.80 MTNR1A (0.49) MTNR1AMTNR1BCNR1CNR2EPHX2
Glycine SCHEMBL27555842 0.80 MTNR1A (0.51) MTNR1AMTNR1BCNR1CNR2EPHX2
SCHEMBL1321258 0.77 MTNR1A (0.54) MTNR1AMTNR1BCNR1CNR2EPHX2
Hydrochloric Acid SCHEMBL5311014 0.75 MTNR1A (0.53) MTNR1AMTNR1BCNR1CNR2EPHX2
SCHEMBL3905618 0.74 HRH1 (0.58) MTNR1AMTNR1BHTR2AHRH1ALOX5
SCHEMBL5662442 0.72 MAOA (0.32)
SCHEMBL5846249 0.72 KCNH2 (0.58) MTNR1AMTNR1BCNR1CNR2EPHX2
SCHEMBL663798 0.70 CNR1 (0.62) MTNR1AMTNR1BCNR1CNR2EPHX2

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
EP-2989119-A1 USE OF INHIBITORY PEPTIDES FOR THE TREATMENT OF INFLAMMATORY DISEASES Yeda Research and Development Co., Ltd. (IL) 2016-03-02 EP disclosed
WO-2014174520-A1 USE OF INHIBITORY PEPTIDES FOR THE TREATMENT OF INFLAMMATORY DISEASES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2014-10-30 WO disclosed