SCHEMBL8724121

SCHEMBL8724121

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
L3MBTL3 Q96JM7 2/20 0.44
SMYD3 Q9H7B4 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALOX15 P16050 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
VCP P55072 1/20 0.37
USP2 O75604 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 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
SCHEMBL8730061 0.82 L3MBTL3 (0.41) L3MBTL1L3MBTL3SMYD3KMT2AMEN1
SCHEMBL3441371 0.81 MAPT (0.57) L3MBTL1L3MBTL3SMYD3KMT2AMEN1
SCHEMBL8338229 0.79 LTA4H (0.44) L3MBTL1L3MBTL3SMYD3KMT2AMEN1
SCHEMBL5545948 0.79 TDP1 (0.51) L3MBTL1L3MBTL3SMYD3KMT2AMEN1
SCHEMBL377434 0.79 ALDH1A1 (0.59) L3MBTL1L3MBTL3KMT2AMEN1TSHR
SCHEMBL8724123 0.79 ADRB1 (0.53) L3MBTL1L3MBTL3SMYD3KMT2AMEN1
SCHEMBL16669437 0.79 L3MBTL3 (0.44) L3MBTL1L3MBTL3SMYD3KMT2AMEN1
SCHEMBL5545942 0.79 SMYD3 (0.44) L3MBTL1L3MBTL3SMYD3KMT2AMEN1
SCHEMBL3060190 0.79 HTR3E (0.53) L3MBTL1L3MBTL3KMT2AMEN1ALOX15
SCHEMBL6747861 0.79 USP2 (0.58) L3MBTL1L3MBTL3KMT2AMEN1TSHR

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