SCHEMBL28639115

SCHEMBL28639115

O=C(NN1CCC(Nc2ccccc2)CC1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
CARM1 Q86X55 2/20 0.44
PRMT6 Q96LA8 2/20 0.44
CCR6 P51684 1/20 0.44
SCN9A Q15858 1/20 0.43
EPHX1 P07099 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LTA4H P09960 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42

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
SCHEMBL28138491 0.80 HTT (0.65) HTTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7288482 0.78 EPHX1 (0.69) MEN1KMT2AEPHX1ALDH1A1L3MBTL1
SCHEMBL2399935 0.77 HTT (0.96) HTTKMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL3801054 0.76 SPR (0.50) SMN1; SMN2CARM1PRMT6CCR6EPHX1
N-Piperidinobenzamide SCHEMBL696161 0.75 HTT (1.00) HTTKMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL9282775 0.75 HTT (1.00) HTTKMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL7449374 0.75 CCR3 (0.60) HTTMEN1KMT2A
SCHEMBL7465143 0.73 KDM4E (0.51) CARM1PRMT6EPHX1CA12CA1
SCHEMBL14590778 0.73 HTT (0.65) HTTKMT2ASMN1; SMN2
SCHEMBL8641006 0.73 NPC1 (0.46) SMN1; SMN2CARM1PRMT6EPHX1

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-113490485-A Film for oral cavity 斯特拉斯克莱德大学 2021-10-08 CN disclosed