SCHEMBL28293016

SCHEMBL28293016

O=[N+]([O-])c1ccc(N2CCC(N3CCCCC3)CC2)cn1.c1cncc(N2CCCCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
POLB P06746 1/20 0.49
CHRM4 P08173 1/20 0.48
CHRNB2 P17787 4/20 0.47
CHRNA4 P43681 4/20 0.47
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL3 Q96JM7 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MBTD1 Q05BQ5 1/20 0.44
RAB9A P51151 1/20 0.44
TRPV6 Q9H1D0 3/20 0.42
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL2723246 0.90 MAPT (0.74) MAPTPOLBCHRNB2CHRNA4CHRNB4
Piperazine SCHEMBL28139621 0.84 MAPT (0.66) MAPTPOLBCHRNB2CHRNA4CHRNB4
SCHEMBL28139531 0.82 L3MBTL3 (0.63) CHRM4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL29437410 0.80 MAPT (1.00) MAPTPOLBCHRNB2CHRNA4CHRNB4
SCHEMBL2722856 0.80 MAPT (1.00) MAPTPOLBCHRNB2CHRNA4CHRNB4
SCHEMBL29684081 0.79 MAPT (0.67) MAPTPOLBCHRNB2CHRNA4CHRNB4
SCHEMBL15141576 0.79 MAPT (0.97) MAPTPOLBCHRNB2CHRNA4CHRNB4
SCHEMBL29435521 0.79 MAPT (0.97) MAPTPOLBCHRNB2CHRNA4CHRNB4
SCHEMBL29649854 0.78 MAPT (0.59) MAPTPOLBCHRNB2CHRNA4CHRNB4
SCHEMBL2724789 0.78 POLB (0.76) MAPTPOLBCHRNB2CHRNA4CHRNB4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109789143-A Antiproliferative based on pyrimidine G1治疗公司 2019-05-21 CN disclosed