SCHEMBL8726329

SCHEMBL8726329

[CH2]c1ccc(N2CCC(N(C)C)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.42
RORC P51449 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
EED O75530 1/20 0.39
MCHR1 Q99705 5/20 0.39
USP2 O75604 1/20 0.38
KCNH2 Q12809 1/20 0.37
LSS P48449 1/20 0.36
CYP3A4 P08684 1/20 0.36
PIK3CA P42336 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACVR1 Q04771 1/20 0.36
NPY5R Q15761 3/20 0.35

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
SCHEMBL8729536 0.84 RORC (0.47) L3MBTL3RORCL3MBTL1EEDMCHR1
SCHEMBL8726331 0.83 ADRB1 (0.50) L3MBTL3RORCL3MBTL1EEDMCHR1
SCHEMBL8723811 0.83 MCHR1 (0.43) L3MBTL3RORCL3MBTL1MCHR1USP2
SCHEMBL1409679 0.81 MAPT (0.53) L3MBTL3RORCL3MBTL1EEDMCHR1
SCHEMBL22837830 0.81 HTR2A (0.43) L3MBTL3RORCL3MBTL1EEDMCHR1
SCHEMBL5539924 0.81 L3MBTL3 (0.46) L3MBTL3RORCL3MBTL1EEDMCHR1
SCHEMBL5539933 0.81 KDM4E (0.49) L3MBTL3RORCL3MBTL1EEDMCHR1
SCHEMBL578309 0.81 NPY5R (0.49) L3MBTL3RORCL3MBTL1EEDMCHR1
SCHEMBL21447979 0.81 L3MBTL3 (0.52) L3MBTL3RORCL3MBTL1MCHR1CYP3A4
SCHEMBL8728922 0.81 L3MBTL3 (0.37) L3MBTL3L3MBTL1MCHR1USP2LSS

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