SCHEMBL11117410

SCHEMBL11117410

COc1ccccc1N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
MAPT P10636 2/20 0.65
DRD4 P21917 1/20 0.65
ALDH1A1 P00352 6/20 0.64
TSHR P16473 4/20 0.64
HTT P42858 2/20 0.64
HTR1A P08908 2/20 0.64
LMNA P02545 3/20 0.63
USP2 O75604 1/20 0.63
MAPK1 P28482 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
GAA P10253 1/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL6936848 0.81 HTR1A (0.67) SMN1; SMN2MAPTDRD4ALDH1A1HTR1A
SCHEMBL8722756 0.80 MAPT (0.72) KDM4ESMN1; SMN2MAPTDRD4ALDH1A1
SCHEMBL11556531 0.79 MAPK1 (0.69) SMN1; SMN2MAPTDRD4ALDH1A1HTR1A
SCHEMBL4005507 0.79 DRD4 (1.00) KDM4ESMN1; SMN2MAPTDRD4ALDH1A1
SCHEMBL14207957 0.78 MAPT (0.66) KDM4ESMN1; SMN2MAPTDRD4ALDH1A1
SCHEMBL18040093 0.78 LMNA (0.78) KDM4ESMN1; SMN2MAPTALDH1A1HTT
SCHEMBL4627292 0.78 LMNA (0.67) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL5796341 0.77 MAPT (0.65) KDM4ESMN1; SMN2MAPTDRD4ALDH1A1
SCHEMBL29078413 0.77 LMNA (0.60) KDM4ESMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL4750163 0.77 LMNA (1.00) KDM4EMAPTALDH1A1HTTLMNA

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
EP-0120558-A1 Antihypertensive N-piperazinylalkanoylanilides RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1984-10-03 EP disclosed