SCHEMBL7718948

SCHEMBL7718948

NC(=O)CNC1CCN(c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.49
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 7/20 0.46
CTPS1 P17812 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 3/20 0.45
HTT P42858 2/20 0.45
GAA P10253 1/20 0.45
GRM5 P41594 1/20 0.45
MAPK1 P28482 1/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ENPP2 Q13822 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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 0.82 NPY1R (0.50) NPY1RLMNAALDH1A1MAPTL3MBTL1
SCHEMBL7718950 0.82 NPY1R (0.50) NPY1RLMNAALDH1A1MAPTL3MBTL1
SCHEMBL7711167 0.80 NPC1 (0.56) LMNAALDH1A1MAPTKMT2AHTT
SCHEMBL3436153 0.79 MAPT (0.68) LMNAALDH1A1MAPTCTPS1L3MBTL1
SCHEMBL5092054 0.79 MAPT (0.55) LMNAALDH1A1MAPTCTPS1L3MBTL1
SCHEMBL7715922 0.78 DRD4 (0.47) ALDH1A1MAPTPOLBKMT2AGAA
SCHEMBL7711275 0.77 NPY1R (0.54) NPY1RLMNAALDH1A1MAPTKMT2A
SCHEMBL7715013 0.77 KDM4E (0.44) ALDH1A1KMT2AMEN1KDM4ECYP1A2
SCHEMBL7718924 0.77 TSHR (0.51) RAB9A
SCHEMBL3436163 0.76 LMNA (0.49) LMNAALDH1A1MAPTCTPS1L3MBTL1

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