SCHEMBL8728952

SCHEMBL8728952

[CH2]c1ccc(N2CCC(NC)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MCHR1 Q99705 1/20 0.39
HRH4 Q9H3N8 12/20 0.38
USP28 Q96RU2 1/20 0.38
USP2 O75604 1/20 0.38
ME3 Q16798 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ADRA2C P18825 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
PTK2B Q14289 1/20 0.36
ESR2 Q92731 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8726110 0.84 USP28 (0.40) L3MBTL3L3MBTL1MCHR1HRH4USP28
SCHEMBL3440289 0.83 MAPT (0.55) L3MBTL3L3MBTL1MCHR1HRH4USP28
SCHEMBL8728954 0.83 ADRB1 (0.50) L3MBTL3L3MBTL1MCHR1HRH4KDM4E
SCHEMBL785834 0.81 KMT2A (0.50) KDM4EGAAMAPTKMT2A
SCHEMBL784590 0.81 MAPT (0.53) KDM4EALDH1A1MAPTGFERKMT2A
SCHEMBL5537153 0.81 ME3 (0.52) L3MBTL3L3MBTL1MCHR1HRH4USP2
SCHEMBL5537144 0.81 MCHR1 (0.42) L3MBTL3L3MBTL1MCHR1HRH4USP28
SCHEMBL21590255 0.81 NPY5R (0.46) L3MBTL3L3MBTL1MCHR1HRH4USP2
SCHEMBL22837853 0.81 LTA4H (0.41) L3MBTL3L3MBTL1MCHR1HRH4USP28
SCHEMBL7049802 0.81 L3MBTL1 (0.52) L3MBTL3L3MBTL1MCHR1HRH4ME3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0624584-B1 Piperazine derivatives useful as calmodulin inhibitors DAIICHI SEIYAKU CO (JP) 1998-08-19 EP disclosed
US-5681954-A HAS CALMODULIN INHIBITORY ACTIVITY; USEFUL IN TREATING DISEASES OF THE CIRCULATORY ORGANS OR IN CEREBRAL REGION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-10-28 US disclosed
EP-0624584-A1 Piperazine derivatives useful as calmodolin inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-11-17 EP disclosed