SCHEMBL8728946

SCHEMBL8728946

[CH2]CCN1CCC(NCC)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 7/20 0.37
PRMT6 Q96LA8 7/20 0.37
PABPC1 P11940 1/20 0.37
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
KCNH2 Q12809 1/20 0.35
PRMT8 Q9NR22 2/20 0.34
PRMT1 Q99873 1/20 0.34
RAD52 P43351 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
CCR5 P51681 1/20 0.32
EPHX1 P07099 1/20 0.32
EPHX2 P34913 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL22878502 0.83 PABPC1 (0.46) CARM1PRMT6PABPC1GNAI3GNAO1
SCHEMBL8728949 0.83 KCNH2 (0.38) CARM1PRMT6GNAI3GNAO1GNAI1
SCHEMBL19723131 0.80 KDM1A (0.42) CARM1PRMT6PABPC1GNAI3GNAO1
SCHEMBL8724935 0.79 CARM1 (0.41) CARM1PRMT6PABPC1GNAI3GNAO1
SCHEMBL2760188 0.79 SMN1; SMN2 (0.42) CARM1PRMT6KCNH2CCR5EPHX1
SCHEMBL23986335 0.77 CARM1 (0.36) CARM1PRMT6GNAI3GNAO1GNAI1
SCHEMBL18873644 0.77 KDM1A (0.47) CARM1PRMT6PABPC1GNAI3GNAO1
SCHEMBL4572196 0.76 DPP7 (0.44) GNAI3GNAO1GNAI1KCNH2DPP7
SCHEMBL15806856 0.76 CARM1 (0.36) CARM1PRMT6PABPC1GNAI3GNAO1
SCHEMBL16840920 0.74 KDM1A (0.36) CARM1PRMT6PABPC1GNAI3GNAO1

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