SCHEMBL7549240

SCHEMBL7549240

CN(C)CCCNC(=O)c1csc(-c2cccc(Cl)c2Cl)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.71
TLR7 Q9NYK1 1/20 0.57
POLB P06746 2/20 0.51
HPGD P15428 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
AGTR1 P30556 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HTR2C P28335 5/20 0.49
ALOX15 P16050 1/20 0.49
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
HPGDS O60760 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL28065241 0.83 PANK3 (0.72) PANK3TLR7HPGDKDM4EALDH1A1
SCHEMBL7549244 0.81 PANK3 (0.50) PANK3TLR7KDM4EALDH1A1HTR2C
SCHEMBL3537090 0.78 PANK3 (0.64) PANK3TLR7NPC1RAB9ANPSR1
SCHEMBL7549237 0.77 PANK3 (0.50) PANK3TLR7KDM4EALDH1A1HTR2C
SCHEMBL13548679 0.75 HTR2C (0.62) PANK3TLR7NPC1RAB9AHTR2C
SCHEMBL14716946 0.74 PANK3 (0.62) PANK3TLR7HPGDKDM4EALDH1A1
SCHEMBL15033595 0.74 HPGD (0.55) POLBHPGDKDM4EALDH1A1HTT
SCHEMBL3538271 0.74 HTR2C (0.64) PANK3TLR7KDM4ENPC1ALDH1A1
SCHEMBL3539520 0.74 HTR2C (0.64) PANK3TLR7KDM4ENPC1RAB9A
SCHEMBL31703693 0.73 PANK3 (0.59) PANK3TLR7HPGDKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237849-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2002-09-11 EP claimed
WO-2001032604-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2001-05-10 WO claimed