SCHEMBL4634645

SCHEMBL4634645

N#CCCCN1CCC([NH])CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
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
SIGMAR1 Q99720 2/20 0.32
HRH3 Q9Y5N1 8/20 0.32
GNAI3 P08754 2/20 0.32
GNAO1 P09471 2/20 0.32
GNAI1 P63096 2/20 0.32
HRH2 P25021 3/20 0.31
HRH1 P35367 3/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30

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
SCHEMBL31719335 0.82 MAPT (0.55) MAPTALDH1A1PKMPOLBSMN1; SMN2
SCHEMBL5672438 0.80
SCHEMBL10498707 0.80 ALDH1A1 (0.70) MAPTALDH1A1PKMPOLBSMN1; SMN2
SCHEMBL4634646 0.80 MAPT (0.53) MAPTALDH1A1PKMPOLBSMN1; SMN2
SCHEMBL10540257 0.80 MAPT (0.53) MAPTALDH1A1PKMPOLBSIGMAR1
SCHEMBL27895291 0.76
SCHEMBL146416 0.76 MAPT (0.86) MAPTALDH1A1PKMPOLBSMN1; SMN2
SCHEMBL17471174 0.76 MAPT (0.48) MAPTALDH1A1PKMPOLBSMN1; SMN2
SCHEMBL31719545 0.74 MAPT (0.47) MAPTALDH1A1PKMPOLBSMN1; SMN2
SCHEMBL154378 0.74 MAPT (0.83) MAPTALDH1A1PKMPOLBSMN1; SMN2

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