SCHEMBL9828240

SCHEMBL9828240

Cc1cnc(N2CCC(c3ccc([N+](=O)[O-])cc3)CC2)n1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.45
MAPT P10636 9/20 0.44
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
SIRT6 Q8N6T7 1/20 0.39
PARP1 P09874 1/20 0.37
DPP4 P27487 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX12 P18054 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TRPV6 Q9H1D0 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
SCHEMBL10676571 0.82 SIRT6 (0.60) MAPTPOLBALDH1A1LMNAGAA
SCHEMBL9829274 0.81 SLC18A3 (0.40) SLC18A3PARP1HRH3
SCHEMBL9828971 0.81 CA2 (0.42) NPSR1PARP1MEN1KMT2A
SCHEMBL9827933 0.79 SLC18A3 (0.46) SLC18A3MAPTPOLBL3MBTL1MAPK1
SCHEMBL9828873 0.76 ALDH1A1 (0.40) MAPTMAPK1ALDH1A1LMNAGAA
SCHEMBL426360 0.75 SLC18A3 (0.58) SLC18A3MAPTPOLBL3MBTL1MAPK1
SCHEMBL9827139 0.74 POLB (0.54) SLC18A3MAPTPOLBMAPK1ALDH1A1
SCHEMBL22324857 0.70 SLC18A3 (0.47) SLC18A3MAPTPOLBMAPK1ALDH1A1
SCHEMBL1066991 0.70 SLC18A3 (0.57) SLC18A3MAPTPOLBALDH1A1LMNA
SCHEMBL15911925 0.70 SLC18A3 (0.57) SLC18A3MAPTPOLBALDH1A1LMNA

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
EP-0291210-B1 ANTIARRHYTHMIC AGENTS Pfizer Limited (GB) 1991-11-06 EP disclosed
US-4835165-A Antiarrhythmic 4-phenylpiperidines PFIZER INC. (US) 1989-05-30 US disclosed
EP-0291210-A1 Antiarrhythmic agents Pfizer Limited (GB) 1988-11-17 EP disclosed