SCHEMBL7910360

SCHEMBL7910360

Cc1nc2c(c([N+](=O)[O-])c1C(=O)O)CCCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.42
PPARG P37231 1/20 0.42
HTT P42858 1/20 0.42
NCOA2 Q15596 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
POLB P06746 5/20 0.40
L3MBTL1 Q9Y468 5/20 0.40
KDM4E B2RXH2 3/20 0.40
CACNB4 O00305 2/20 0.39
CACNA1A O00555 2/20 0.39
CACNA1G O43497 2/20 0.39
CACNG3 O60359 2/20 0.39
CACNA1F O60840 2/20 0.39
CACNA1H O95180 2/20 0.39
CACNB3 P54284 2/20 0.39
CACNA2D1 P54289 2/20 0.39
CACNG7 P62955 2/20 0.39

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
SCHEMBL7916774 0.83 CACNB4 (0.54) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL7911213 0.80 CACNB4 (0.37) NPSR1POLBKDM4ECACNB4CACNA1A
SCHEMBL7902853 0.74 PRNP (0.44) PRNPPPARGHTTNCOA2NPSR1
SCHEMBL6956277 0.68 ACHE (0.40) NPSR1KDM4EALDH1A1TSHRMAPK1
SCHEMBL3556897 0.67 MAPT (0.40) HTTPOLBL3MBTL1ALDH1A1MAPK1
SCHEMBL29338978 0.66 KDM4E (0.57) KDM4EALDH1A1MAPK1ACHEKMT2A
SCHEMBL11614853 0.66 TDP1 (0.39) HTTPOLBL3MBTL1ALDH1A1KMT2A
SCHEMBL6701780 0.66 ACHE (0.40) NPSR1KDM4EALDH1A1TSHRMAPK1
SCHEMBL9633216 0.65 ACHE (0.69) RXFP1POLBL3MBTL1KDM4EALDH1A1
SCHEMBL4507172 0.65 POLB (0.42) POLBL3MBTL1ALDH1A1TSHRMAPK1

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-6258829-B1 ANTIARRTHMIA AGENTS AND CARDIOVASCULAR DISORDERS TOA EIYO LTD. (JP) 2001-07-10 US disclosed
EP-0972767-A1 CYCLOALKA[b]PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND DRUGS CONTAINING THE SAME TOA EIYO LTD. (JP) 2000-01-19 EP disclosed