SCHEMBL7040970

SCHEMBL7040970

NC(=O)NCc1ccc(CN(C(=O)Nc2cccc3ccccc23)[C@H](CCCNC(N)=N[N+](=O)[O-])C(N)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
MC4R P32245 1/20 0.37
MC5R P33032 1/20 0.37
MC3R P41968 1/20 0.37
MC1R Q01726 1/20 0.37
KDM4E B2RXH2 4/20 0.36
GSK3B P49841 1/20 0.36
GAA P10253 1/20 0.36
NPY5R Q15761 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CXCR4 P61073 2/20 0.34
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL7042436 0.81 NPY1R (0.40) NPY5RPOLBF2
SCHEMBL8126402 0.80 F7 (0.39) KDM4EGAAALDH1A1F2
SCHEMBL8587074 0.79 HDAC1 (0.39) MC4RMC5RMC3RMEN1KMT2A
SCHEMBL7045274 0.78 KDM4E (0.42) MMP1MMP2MMP9MMP8MMP13
SCHEMBL7040748 0.78 CA1 (0.36) GAAMEN1KMT2APOLBF2
SCHEMBL8654742 0.75 TRPM8 (0.33) MC4R
SCHEMBL7037364 0.75 GAA (0.39) GAAALDH1A1MEN1KMT2APOLB
SCHEMBL8528491 0.74 NPY1R (0.35) MEN1KMT2AMAPTF2
SCHEMBL7040969 0.74 NPY1R (0.42) MC4RMC5RMC3RMC1RKDM4E
SCHEMBL8526199 0.74 MC4R (0.40) MC4RMC5RMC3RMC1RF2

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
EP-0885186-B1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM THOMAE GMBH DR K (DE) 2003-03-26 EP disclosed