SCHEMBL7732082

SCHEMBL7732082

COc1cc(NC(C)=O)ccc1N1CCN(CC(N)c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
MAPK1 P28482 1/20 0.46
DRD2 P14416 1/20 0.45
ALDH1A1 P00352 8/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
JAK2 O60674 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
TSHR P16473 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
SCHEMBL7736595 0.85 ALDH1A1 (0.40) MAPTMAPK1ALDH1A1HTTSMN1; SMN2
SCHEMBL6474949 0.83 HTR1A (0.52) MAPTMAPK1DRD2ALDH1A1HTT
SCHEMBL7732078 0.80 DRD2 (0.50) MAPTMAPK1DRD2ALDH1A1HTT
SCHEMBL27435293 0.74 MAPT (0.50) MAPTMAPK1DRD2ALDH1A1HTT
SCHEMBL7736577 0.73 HTR1A (0.54) MAPTMAPK1DRD2SMN1; SMN2LMNA
SCHEMBL7607947 0.72 LMNA (0.51) MAPTMAPK1DRD2ALDH1A1SMN1; SMN2
SCHEMBL7607699 0.70 ADRB2 (0.54) MAPTDRD2ALDH1A1
SCHEMBL6930796 0.70 DRD2 (0.59) MAPTMAPK1DRD2ALDH1A1HTT
SCHEMBL6933603 0.70 ADRA1D (0.61) MAPTDRD2ALDH1A1TSHR
SCHEMBL5884404 0.69 KMT2A (0.46) MAPTALDH1A1HTTSMN1; SMN2KMT2A

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