SCHEMBL7711275

SCHEMBL7711275

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.54
DRD2 P14416 7/20 0.47
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 3/20 0.41
DRD3 P35462 1/20 0.41
HSD11B1 P28845 1/20 0.41
MAPK1 P28482 1/20 0.41
ENPP2 Q13822 3/20 0.41
NPY2R P49146 1/20 0.41

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
SCHEMBL3955951 0.86 CKS1B (0.52) DRD2ALDH1A1LMNAHTTKMT2A
SCHEMBL3436185 0.85 CKS1B (0.54) DRD2ALDH1A1LMNAHTTKMT2A
SCHEMBL7716756 0.84 DRD2 (0.51) DRD2DRD3
SCHEMBL14328884 0.83 PIM1 (0.56) DRD2ALDH1A1LMNAHTTKMT2A
SCHEMBL13495900 0.83 PIM1 (0.56) DRD2ALDH1A1LMNAHTTKMT2A
SCHEMBL14207420 0.82 CKS1B (0.49) DRD2ALDH1A1LMNAMAPTHSD11B1
SCHEMBL14206795 0.82 CKS1B (0.48) DRD2ALDH1A1LMNAHTTKMT2A
SCHEMBL7716782 0.82 DRD2 (0.69) DRD2DRD3
SCHEMBL14207434 0.81 ALDH1A1 (0.51) DRD2ALDH1A1LMNAKMT2AMAPT
SCHEMBL7711219 0.81 DRD2 (0.48) DRD2ALDH1A1DRD3

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