SCHEMBL4643602

SCHEMBL4643602

CN(C)CCCN(C)c1nc2ccc(N)cc2s1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
KEAP1 Q14145 1/20 0.46
MAPT P10636 8/20 0.44
HTT P42858 4/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.43
TMPRSS15 P98073 2/20 0.43
RAD52 P43351 1/20 0.43
POLB P06746 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
SCHEMBL3752321 0.92 SMN1; SMN2 (0.51) SMN1; SMN2KEAP1MAPTHTTKMT2A
Hydrochloric Acid SCHEMBL3753726 0.90 SMN1; SMN2 (0.50) SMN1; SMN2KEAP1MAPTHTTKMT2A
SCHEMBL3748595 0.88 LMNA (0.50) SMN1; SMN2KEAP1MAPTHTTKMT2A
Hydrochloric Acid SCHEMBL3746728 0.87 CYP1A2 (0.51) SMN1; SMN2KEAP1MAPTHTTKMT2A
SCHEMBL3748709 0.83 SMN1; SMN2 (0.41) SMN1; SMN2KEAP1MAPTHTTKMT2A
SCHEMBL23965817 0.82 SMN1; SMN2 (0.48) SMN1; SMN2KEAP1MAPTHTTKMT2A
SCHEMBL3744447 0.82 LMNA (0.52) SMN1; SMN2KEAP1MAPTHTTKMT2A
SCHEMBL19326467 0.80 MAPT (0.51) SMN1; SMN2KEAP1MAPTHTTKMT2A
SCHEMBL18344029 0.80 MAPT (0.45) SMN1; SMN2MAPTHTTKMT2AALDH1A1
SCHEMBL3748799 0.79 SMN1; SMN2 (0.44) SMN1; SMN2KEAP1MAPTHTTKMT2A

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-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP disclosed
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP disclosed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 WO disclosed