SCHEMBL7549237

SCHEMBL7549237

CN(C)CCC(N)=O.O=C(O)c1csc(-c2cccc(Cl)c2Cl)n1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.50
HTR2C P28335 6/20 0.48
TLR7 Q9NYK1 1/20 0.48
ACHE P22303 2/20 0.44
EIF4E P06730 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTR2B P41595 1/20 0.38

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
SCHEMBL7549244 0.87 PANK3 (0.50) PANK3HTR2CTLR7ACHEEIF4E
SCHEMBL3538271 0.83 HTR2C (0.64) PANK3HTR2CTLR7ACHEEIF4E
SCHEMBL13548732 0.77 HTR2C (0.62) PANK3HTR2CTLR7ACHEEIF4E
SCHEMBL7549240 0.77 PANK3 (0.71) PANK3HTR2CTLR7ALDH1A1KDM4E
SCHEMBL13548679 0.74 HTR2C (0.62) PANK3HTR2CTLR7ACHEEIF4E
SCHEMBL3539520 0.73 HTR2C (0.64) PANK3HTR2CTLR7ACHEEIF4E
Acetic Acid SCHEMBL31255965 0.73 ACHE (0.52) PANK3HTR2CTLR7ACHEALDH1A1
SCHEMBL25410319 0.73 KDM4E (0.55) HTR2CTLR7ACHEALDH1A1KDM4E
SCHEMBL2691637 0.73 ACHE (0.61) HTR2CTLR7ACHEEIF4EALDH1A1
SCHEMBL3535303 0.71 PANK3 (0.57) PANK3HTR2CTLR7ALDH1A1

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