SCHEMBL8728922

SCHEMBL8728922

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CDK4 P11802 5/20 0.35
CDK6 Q00534 1/20 0.35
USP2 O75604 1/20 0.35
CHIT1 Q13231 2/20 0.34
CHIA Q9BZP6 2/20 0.34
LSS P48449 1/20 0.34
ACKR3 P25106 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RAD52 P43351 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.34
CBX7 O95931 1/20 0.34
CDYL2 Q8N8U2 1/20 0.34
CDYL Q9Y232 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
SCHEMBL8723811 0.85 MCHR1 (0.43) L3MBTL3L3MBTL1SMN1; SMN2USP2CHIT1
SCHEMBL8728925 0.85 ADRB1 (0.46) L3MBTL3L3MBTL1SMN1; SMN2CDK4USP2
SCHEMBL520505 0.83 MAPT (0.53) L3MBTL3L3MBTL1SMN1; SMN2CDK4CDK6
SCHEMBL5547171 0.83 KDM4E (0.45) SMN1; SMN2USP2KDM4EGAAMAPT
SCHEMBL5547166 0.83 SMN1; SMN2 (0.39) L3MBTL3L3MBTL1SMN1; SMN2CDK4CDK6
SCHEMBL27995386 0.83 CHRNA7 (0.50) L3MBTL3L3MBTL1SMN1; SMN2KMT2ACYP3A4
SCHEMBL4696324 0.81 ACKR3 (0.35) L3MBTL3L3MBTL1SMN1; SMN2CDK4CDK6
SCHEMBL8726329 0.81 L3MBTL3 (0.42) L3MBTL3L3MBTL1SMN1; SMN2USP2LSS
SCHEMBL7303320 0.78 MAPT (0.51) SMN1; SMN2USP2KDM4EMAPTKMT2A
Hydrochloric Acid SCHEMBL7289172 0.76 MAPT (0.56) SMN1; SMN2MAPTKMT2A

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