SCHEMBL7902853

SCHEMBL7902853

COc1c2c(nc(C)c1C(=O)O)CCCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.44
PPARG P37231 1/20 0.44
HTT P42858 1/20 0.44
NCOA2 Q15596 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NR2E3 Q9Y5X4 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
KDM4E B2RXH2 5/20 0.42
POLB P06746 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ACHE P22303 11/20 0.39
CACNB4 O00305 4/20 0.38
CACNA1A O00555 4/20 0.38
CACNA1G O43497 4/20 0.38
CACNG3 O60359 4/20 0.38
CACNA1F O60840 4/20 0.38

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
SCHEMBL7911306 0.87 KDM4E (0.48) KDM4EPOLBALDH1A1ACHECACNB4
SCHEMBL7916819 0.79 ACHE (0.38) KDM4EALDH1A1ACHECACNB4CACNA1A
SCHEMBL7910360 0.74 PRNP (0.42) PRNPPPARGHTTNCOA2NPSR1
SCHEMBL6609247 0.67 HPGD (0.40) PRNPPPARGHTTNCOA2NPSR1
SCHEMBL13104836 0.67 ACHE (0.57) KDM4EPOLBALDH1A1MAPK1ACHE
SCHEMBL26310824 0.66 KDM4E (0.37) NPSR1KDM4EL3MBTL1ALDH1A1MAPK1
SCHEMBL26967933 0.65 P2RX3 (0.39) NPSR1KDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL30843853 0.65 P2RX3 (0.39) NPSR1KDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL29338978 0.65 KDM4E (0.57) KDM4EALDH1A1MAPK1ACHEBCHE
SCHEMBL6208465 0.64 KDM4E (0.38) PRNPPPARGHTTNCOA2NPSR1

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