SCHEMBL7030826

SCHEMBL7030826

CN(C)C(C)(CCCNC(=N)N)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALB P02768 1/20 0.32
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL7030830 1.00 ALOX15 (0.35) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL22217274 0.86 ALOX15 (0.33) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL2994252 0.80 ALOX15 (0.31) ALOX15
SCHEMBL9114925 0.79 ALOX15 (0.36) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL202490 0.78 ARG1 (0.47) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL6431682 0.78 ARG1 (0.47) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL161929 0.78 ARG1 (0.47) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11674300 0.77 ARG1 (0.46) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11674295 0.77 ARG1 (0.46) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL6424463 0.75 ALOX15 (0.36) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0822827-B1 ANTAGONISTS OF LHRH UNIV TEXAS (US) 2003-03-05 EP disclosed
EP-0377665-B1 EFFECTIVE ANTAGONISTS OF THE LUTEINIZING HORMONE RELEASING HORMONE WHICH RELEASE NEGLIGIBLE HISTAMINE UNIV TEXAS (US) 1995-07-12 EP disclosed
EP-0377665-A1 EFFECTIVE ANTAGONISTS OF THE LUTEINIZING HORMONE RELEASING HORMONE WHICH RELEASE NEGLIGIBLE HISTAMINE. UNIV TEXAS (US) 1990-07-18 EP disclosed
WO-1989001944-A1 EFFECTIVE ANTAGONISTS OF THE LUTEINIZING HORMONE RELEASING HORMONE WHICH RELEASE NEGLIGIBLE HISTAMINE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1989-03-09 WO disclosed