SCHEMBL4634646

SCHEMBL4634646

N#CCCCN1CCC(N)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
GNAI3 P08754 1/20 0.52
GNAO1 P09471 1/20 0.52
GNAI1 P63096 1/20 0.52
HRH3 Q9Y5N1 7/20 0.47
HRH2 P25021 4/20 0.47
HRH1 P35367 4/20 0.47
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
SPHK1 Q9NYA1 1/20 0.38
SIGMAR1 Q99720 2/20 0.32

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
SCHEMBL1997756 0.88 ALDH1A1 (0.62) MAPTGNAI3GNAO1GNAI1HRH3
SCHEMBL31719335 0.86 MAPT (0.55) MAPTGNAI3GNAO1GNAI1HRH3
Hydrochloric Acid SCHEMBL2363319 0.86 ALDH1A1 (0.60) MAPTGNAI3GNAO1GNAI1HRH3
SCHEMBL10498707 0.80 ALDH1A1 (0.70) MAPTHRH3ALDH1A1PKMPOLB
SCHEMBL5672438 0.80
SCHEMBL7291853 0.80 GNAI3 (0.52) MAPTGNAI3GNAO1GNAI1HRH3
SCHEMBL10540257 0.80 MAPT (0.53) MAPTHRH3HRH2HRH1ALDH1A1
SCHEMBL4634645 0.80 MAPT (0.53) MAPTGNAI3GNAO1GNAI1HRH3
SCHEMBL23127358 0.79 MAPT (0.47) MAPTHRH3HRH2HRH1ALDH1A1
SCHEMBL31719545 0.78 MAPT (0.47) MAPTGNAI3GNAO1GNAI1HRH3

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
EP-1928877-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL OR ALLERGIC DISEASES AND CANCERS Astra Zeneca AB (SE) 2008-06-11 EP disclosed
WO-2007034173-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL OR ALLERGIC DISEASES AND CANCERS ASTRAZENECA AB (SE) 2007-03-29 WO disclosed