SCHEMBL8728722

SCHEMBL8728722

[CH2]CCc1ccc(N2CCC(NCC)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP28 Q96RU2 1/20 0.40
USP25 Q9UHP3 1/20 0.40
L3MBTL3 Q96JM7 10/20 0.40
L3MBTL1 Q9Y468 7/20 0.40
MBTD1 Q05BQ5 1/20 0.40
TP53BP1 Q12888 1/20 0.40
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
ME3 Q16798 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RORC P51449 2/20 0.35
TPSAB1 Q15661 1/20 0.34

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
SCHEMBL8729299 0.88 SMN1; SMN2 (0.40) USP28USP25L3MBTL3L3MBTL1MBTD1
SCHEMBL8730126 0.85 USP28 (0.43) USP28USP25L3MBTL3L3MBTL1MBTD1
SCHEMBL8725144 0.81 HSP90AA1 (0.40) USP28USP25L3MBTL3L3MBTL1HSP90AA1
SCHEMBL13380458 0.80 MAPT (0.54) USP28USP25L3MBTL3L3MBTL1HSP90AA1
SCHEMBL8725147 0.80 ADRB1 (0.46) L3MBTL3L3MBTL1HSP90AA1HSP90AB1ADRB1
SCHEMBL5537549 0.78 SMN1; SMN2 (0.42) USP28USP25L3MBTL3L3MBTL1HSP90AA1
SCHEMBL5537556 0.78 ME3 (0.52) HSP90AA1HSP90AB1ME3SMN1; SMN2
SCHEMBL22837858 0.78 HSP90AA1 (0.40) L3MBTL3L3MBTL1HSP90AA1HSP90AB1ADRB2
SCHEMBL13798544 0.78 CHRNA7 (0.50) L3MBTL3L3MBTL1MBTD1HSP90AA1HSP90AB1
SCHEMBL5535481 0.76 HSP90AA1 (0.41) L3MBTL3L3MBTL1HSP90AA1HSP90AB1ME3

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