SCHEMBL7718950

SCHEMBL7718950

NCCNC1CCN(c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.50
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
MAPK1 P28482 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
MITF O75030 1/20 0.43
CCR6 P51684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GRM5 P41594 1/20 0.41
KAT2B Q92831 1/20 0.41
DRD4 P21917 1/20 0.41
HSD11B1 P28845 1/20 0.40

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
SCHEMBL7718916 1.00 NPY1R (0.50) NPY1RKMT2AHTTALDH1A1MAPT
SCHEMBL7718948 0.82 NPY1R (0.49) NPY1RKMT2AHTTALDH1A1MAPT
SCHEMBL7711275 0.79 NPY1R (0.54) NPY1RKMT2AHTTALDH1A1MAPT
SCHEMBL11507421 0.78 HTT (0.56) KMT2AHTTALDH1A1MAPTMAPK1
SCHEMBL7715920 0.77 ADRB1 (0.45) KMT2AALDH1A1LMNAMEN1SMN1; SMN2
SCHEMBL7715909 0.76 KCNQ2 (0.48) NPY1RKMT2AALDH1A1MAPTMAPK1
SCHEMBL7899989 0.76 HTR6 (0.55) KMT2AHTTALDH1A1MAPTMAPK1
SCHEMBL5092054 0.75 MAPT (0.55) KMT2AHTTALDH1A1MAPTMAPK1
SCHEMBL7711170 0.75 NPC1 (0.55) KMT2AHTTALDH1A1MAPTMEN1
SCHEMBL1274938 0.75 HTT (0.73) KMT2AHTTALDH1A1MAPTMAPK1

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