SCHEMBL7301366

SCHEMBL7301366

CCOC(=O)N(CCCCN1CC=C(c2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.41
KDM4E B2RXH2 4/20 0.37
SIGMAR1 Q99720 2/20 0.37
DRD3 P35462 1/20 0.37
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
KMT2A Q03164 2/20 0.36
HTR1A P08908 1/20 0.36
DRD4 P21917 1/20 0.36
ALOX15 P16050 1/20 0.36
APEX1 P27695 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL7307549 0.94 HTR7 (0.39) HTR7KDM4ESIGMAR1DRD3MAPT
SCHEMBL7305724 0.94 DRD3 (0.39) HTR7KDM4ESIGMAR1DRD3MAPT
SCHEMBL7298911 0.92 ALDH1A1 (0.40) HTR7KDM4ESIGMAR1DRD3MAPT
SCHEMBL7310926 0.89 TP53 (0.41) KDM4ESIGMAR1DRD3MAPTTDP1
SCHEMBL7308261 0.87 HTR7 (0.45) HTR7KDM4ESIGMAR1MAPTPPARG
SCHEMBL7330914 0.87 HTR1A (0.46) HTR7KDM4ESIGMAR1DRD3MAPT
SCHEMBL7299417 0.84 KDM4E (0.42) HTR7KDM4ESIGMAR1DRD3MAPT
SCHEMBL7310058 0.82 PPARG (0.42) HTR7KDM4ESIGMAR1DRD3PPARG
SCHEMBL7299031 0.82 HTR1A (0.46) HTR7KDM4ESIGMAR1DRD3MAPT
SCHEMBL7299099 0.81 HTR1A (0.48) KDM4ESIGMAR1DRD3MAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5304560-A Treating CNS disorders; dopamine receptor antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-19 US disclosed
CN-1060841-A Quinazoline derivant and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1992-05-06 CN disclosed
EP-0481342-A1 Quinazoline derivatives and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-22 EP disclosed