SCHEMBL7715909

SCHEMBL7715909

O=C(Cc1ccc(F)c(F)c1)NCCNC1CCN(c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.48
NPY1R P25929 2/20 0.48
SIGMAR1 Q99720 4/20 0.48
MAPT P10636 3/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 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
SCHEMBL7715893 0.85 KCNQ2 (0.54) KCNQ2SIGMAR1MEN1KMT2ALMNA
SCHEMBL7715892 0.83 KCNQ2 (0.50) KCNQ2SIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL8005511 0.83 SIGMAR1 (0.50) KCNQ2SIGMAR1MAPTL3MBTL1MEN1
SCHEMBL8005502 0.83 SIGMAR1 (0.50) KCNQ2SIGMAR1MAPTL3MBTL1MEN1
SCHEMBL7718916 0.76 NPY1R (0.50) NPY1RMAPTL3MBTL1MEN1KMT2A
SCHEMBL7718950 0.76 NPY1R (0.50) NPY1RMAPTL3MBTL1MEN1KMT2A
SCHEMBL7711275 0.75 NPY1R (0.54) NPY1RMAPTKMT2ALMNAMAPK1
SCHEMBL7718948 0.72 NPY1R (0.49) NPY1RMAPTL3MBTL1MEN1KMT2A
SCHEMBL7711176 0.71 ADRA1A (0.66) NPY1RADRA1DADRA1AADRA1B
SCHEMBL7715978 0.71 ADRA1A (0.66) NPY1RADRA1DADRA1AADRA1B

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
US-6376503-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC 2002-04-23 US disclosed