SCHEMBL7305724

SCHEMBL7305724

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.39
KDM4E B2RXH2 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALOX15 P16050 1/20 0.38
APEX1 P27695 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTR1A P08908 2/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
HTR7 P34969 1/20 0.37
DRD4 P21917 1/20 0.36

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
SCHEMBL7301366 0.94 HTR7 (0.41) DRD3KDM4ETDP1ALOX15APEX1
SCHEMBL7310926 0.94 TP53 (0.41) DRD3KDM4ETDP1ALOX15APEX1
SCHEMBL7298911 0.93 ALDH1A1 (0.40) DRD3KDM4ETDP1KMT2ASIGMAR1
SCHEMBL7307549 0.89 HTR7 (0.39) DRD3KDM4ETDP1ALOX15APEX1
SCHEMBL7299099 0.87 HTR1A (0.48) DRD3KDM4ESIGMAR1MAPTALDH1A1
SCHEMBL7301695 0.85 KDM4E (0.44) DRD3KDM4ETDP1ALOX15APEX1
SCHEMBL7303017 0.83 SIGMAR1 (0.39) DRD3KDM4ETDP1ALOX15APEX1
SCHEMBL7305222 0.83 HTR1A (0.47) DRD3KDM4ESIGMAR1MAPTALDH1A1
SCHEMBL7306783 0.82 HTR1A (0.46) DRD3KDM4ESIGMAR1MAPTALDH1A1
SCHEMBL7330914 0.82 HTR1A (0.46) DRD3KDM4ESIGMAR1MAPTALDH1A1

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