SCHEMBL13660831

SCHEMBL13660831

O=C(OCc1ccccc1)N1CCCC(CN2CCCCC2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
OPRK1 P41145 1/20 0.52
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LCK P06239 1/20 0.48
GRM5 P41594 1/20 0.47
GRM7 Q14831 1/20 0.47
GRM3 Q14832 1/20 0.47
GRIN2B Q13224 3/20 0.47
JAK2 O60674 2/20 0.46
JAK1 P23458 2/20 0.46
TYK2 P29597 2/20 0.46
JAK3 P52333 2/20 0.46

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
SCHEMBL25602813 0.94 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AOPRK1CYP2C19
SCHEMBL26702872 0.90 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AOPRK1CYP2C19
SCHEMBL13661318 0.90 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AOPRK1CYP2C19
SCHEMBL13661320 0.90 TMEM97 (0.52) SMN1; SMN2NPC1RAB9AOPRK1CYP2C19
SCHEMBL24816241 0.89 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AOPRK1CYP2C19
SCHEMBL13661587 0.86 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AOPRK1CYP2C19
SCHEMBL17545923 0.86 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19KDM4E
SCHEMBL17545938 0.85 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AOPRK1CYP2C19
SCHEMBL1320424 0.85 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19KMT2A
SCHEMBL3272711 0.85 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009131246-A1 SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS ASTELLAS PHARMA INC. (JP) 2009-10-29 WO disclosed