SCHEMBL7310926

SCHEMBL7310926

CCOC(=O)N(CCCCN1CC=C(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 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
DRD3 P35462 1/20 0.38
MAPT P10636 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
HTR1A P08908 1/20 0.36
DRD4 P21917 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 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
SCHEMBL7307549 0.94 HTR7 (0.39) ALDH1A1KDM4ETDP1ALOX15APEX1
SCHEMBL7305724 0.94 DRD3 (0.39) ALDH1A1KDM4ETDP1ALOX15APEX1
SCHEMBL7301366 0.89 HTR7 (0.41) ALDH1A1KDM4ETDP1ALOX15APEX1
SCHEMBL7298911 0.88 ALDH1A1 (0.40) TP53HTTALDH1A1KDM4ETDP1
SCHEMBL7295815 0.86 PPARG (0.44) ALDH1A1KDM4ETDP1ALOX15APEX1
SCHEMBL7305222 0.86 HTR1A (0.47) ALDH1A1KDM4ESIGMAR1DRD3MAPT
SCHEMBL7301695 0.84 KDM4E (0.44) ALDH1A1KDM4ETDP1ALOX15APEX1
SCHEMBL7303017 0.83 SIGMAR1 (0.39) ALDH1A1KDM4ETDP1ALOX15APEX1
SCHEMBL7299099 0.82 HTR1A (0.48) ALDH1A1KDM4ESIGMAR1DRD3MAPT
SCHEMBL7365452 0.81 PPARG (0.43) SIGMAR1DRD3PPARGPPARAHTR1A

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 2 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
EP-0481342-A1 Quinazoline derivatives and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-22 EP disclosed