SCHEMBL7600460

SCHEMBL7600460

C[C@@H](c1ccc(Br)cc1)N(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CCCN)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALOX5 P09917 2/20 0.42
TRPM8 Q7Z2W7 2/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 1/20 0.38
HTR2A P28223 2/20 0.38
EPHX1 P07099 2/20 0.38
HRH1 P35367 1/20 0.36
S1PR3 Q99500 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MDM2 Q00987 1/20 0.34

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
SCHEMBL7596315 1.00 MEN1 (0.42) MEN1KMT2AALOX5TRPM8CNR1
SCHEMBL7600674 0.93 TRPM8 (0.46) MEN1KMT2AALOX5TRPM8HTR2A
Hydrochloric Acid SCHEMBL7594995 0.92 TRPM8 (0.45) MEN1KMT2AALOX5TRPM8HTR2A
SCHEMBL7596331 0.90 TRPM8 (0.41) ALOX5TRPM8CNR1CNR2HTR2A
Hydrochloric Acid SCHEMBL7600878 0.89 TRPM8 (0.41) ALOX5TRPM8CNR1CNR2HTR2A
Hydrochloric Acid SCHEMBL7600663 0.89 TRPM8 (0.41) ALOX5TRPM8HTR2AHRH1ALDH1A1
SCHEMBL7597931 0.87 ALDH1A1 (0.44) KMT2AALOX5TRPM8CNR1CNR2
Hydrochloric Acid SCHEMBL7600447 0.87 ALOX5 (0.42) ALOX5TRPM8ALDH1A1
SCHEMBL7595296 0.87 ALDH1A1 (0.44) KMT2AALOX5TRPM8CNR1CNR2
Hydrochloric Acid SCHEMBL7600168 0.86 ALDH1A1 (0.46) KMT2AALOX5TRPM8CNR1CNR2

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-1017672-B1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 2002-11-27 EP disclosed
EP-1017672-A1 NEW NPY ANTAGONISTS AstraZeneca AB (SE) 2000-07-12 EP disclosed
WO-1999015498-A1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 1999-04-01 WO disclosed