SCHEMBL7262000

SCHEMBL7262000

C=C[CH]c1ccc(S(=O)(=O)N2CCNCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
F13A1 P00488 2/20 0.57
TGM2 P21980 2/20 0.57
TGM1 P22735 2/20 0.57
ALDH1A1 P00352 2/20 0.52
PKM P14618 1/20 0.50
USP2 O75604 2/20 0.44
GLA P06280 1/20 0.44
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
TDO2 P48775 1/20 0.41
GPR183 P32249 2/20 0.41
TSHR P16473 1/20 0.41

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
Hydrochloric Acid SCHEMBL5733527 0.86 MAPT (0.61) MAPTF13A1TGM2TGM1ALDH1A1
SCHEMBL7267448 0.81 POLB (0.63) ALDH1A1USP2TSHR
SCHEMBL8724931 0.78 MAPT (0.69) MAPTF13A1TGM2TGM1ALDH1A1
SCHEMBL11510345 0.75 MAPT (0.69) MAPTF13A1TGM2TGM1ALDH1A1
SCHEMBL5955341 0.75 MAPT (0.69) MAPTALDH1A1PKMTSHR
SCHEMBL651924 0.75 MAPT (0.69) MAPTALDH1A1PKMTSHR
SCHEMBL6181332 0.75 MAPT (0.69) MAPTF13A1TGM2TGM1ALDH1A1
SCHEMBL1797016 0.75 MAPT (0.69) MAPTALDH1A1PKMTDO2GPR183
SCHEMBL16442322 0.75 MAPT (0.69) MAPTF13A1TGM2TGM1ALDH1A1
SCHEMBL29764424 0.75 MAPT (0.69) MAPTF13A1TGM2TGM1ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596706-B1 For the treatment of circulatory diseases cerebral diseases DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-07-22 US claimed
EP-1029872-A1 PIPERAZINE-CYCLODEXTRIN COMPLEXES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-08-23 EP claimed
EP-0624584-B1 Piperazine derivatives useful as calmodulin inhibitors DAIICHI SEIYAKU CO (JP) 1998-08-19 EP claimed
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 claimed
EP-0624584-A1 Piperazine derivatives useful as calmodolin inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-11-17 EP claimed
US-6596706-B1 For the treatment of circulatory diseases cerebral diseases DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-07-22 US disclosed
EP-1029872-A1 PIPERAZINE-CYCLODEXTRIN COMPLEXES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-08-23 EP disclosed
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