SCHEMBL7732078

SCHEMBL7732078

COc1cc(NC(C)=O)ccc1N1CCN(CCNc2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.50
MAPT P10636 4/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 3/20 0.48
DRD3 P35462 1/20 0.47
HTR1A P08908 3/20 0.47
MAPK1 P28482 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
ABCB1 P08183 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
GAA P10253 1/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL7736593 0.84 HTR1A (0.46) DRD2MAPTKMT2ALMNAALDH1A1
SCHEMBL6474943 0.84 HTR1A (0.59) DRD2LMNAHTR1AADRA1DADRA1A
SCHEMBL7732082 0.80 MAPT (0.46) DRD2MAPTKMT2AMEN1LMNA
SCHEMBL8129784 0.78 DRD2 (0.59) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL7736577 0.77 HTR1A (0.54) DRD2MAPTKMT2AMEN1LMNA
SCHEMBL7607942 0.73 HTR1A (0.58) DRD2MAPTKMT2AMEN1LMNA
SCHEMBL6936848 0.72 HTR1A (0.67) DRD2MAPTKMT2AMEN1LMNA
SCHEMBL7607694 0.71 DRD2 (0.67) DRD2MAPTKMT2ALMNADRD3
SCHEMBL16690122 0.70 KAT2B (0.56) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL7803674 0.70 ADRA1A (0.69) DRD2MAPTLMNADRD3HTR1A

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-6399614-B1 TREATING NEUROMUSCULAR DYSFUNCTION OF LOWER URINARY TRACT VIA PERIPHERAL OR CENTRAL NERVOUS SYSTEM; SEROTONIN RECEPTOR ANTAGONIST RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-06-04 US disclosed