SCHEMBL29706010

SCHEMBL29706010

CN1CCN(C2CCN(C(=O)c3ccc(Br)cn3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 11/20 0.58
L3MBTL1 Q9Y468 9/20 0.58
HRH3 Q9Y5N1 6/20 0.46
L3MBTL4 Q8NA19 3/20 0.45
FLT3 P36888 1/20 0.45
KCNH2 Q12809 1/20 0.45
ACHE P22303 1/20 0.43
MBTD1 Q05BQ5 3/20 0.43
TP53BP1 Q12888 1/20 0.43

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
SCHEMBL24185682 0.88 L3MBTL1 (0.58) L3MBTL3L3MBTL1HRH3L3MBTL4KCNH2
SCHEMBL2377708 0.87 POLB (0.54) L3MBTL1HRH3
SCHEMBL2967406 0.84 HRH3 (0.60) L3MBTL3L3MBTL1HRH3L3MBTL4KCNH2
SCHEMBL2966380 0.82 HRH3 (0.65) L3MBTL3L3MBTL1HRH3KCNH2
SCHEMBL24185702 0.81 L3MBTL3 (0.63) L3MBTL3L3MBTL1HRH3L3MBTL4MBTD1
SCHEMBL31262623 0.80 L3MBTL1 (0.50) L3MBTL3L3MBTL1HRH3KCNH2
SCHEMBL1427022 0.76 ALDH1A1 (0.57) L3MBTL3L3MBTL1HRH3
SCHEMBL642288 0.76 ALDH1A1 (0.55) L3MBTL3L3MBTL1HRH3KCNH2
SCHEMBL1872354 0.75 ALDH1A1 (0.59) L3MBTL3L3MBTL1HRH3
SCHEMBL24185769 0.75 ALDH1A1 (0.46) L3MBTL3L3MBTL1KCNH2

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-111732548-B N2-carbamyl aromatic ring-2-aminopyrimidine derivatives and medical application thereof 浙江大学 2022-06-17 CN disclosed