SCHEMBL13661299

SCHEMBL13661299

O=C(OCc1ccccc1)N1CCC(N2CCC(N3CCCCC3)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
CYP2C19 P33261 1/20 0.62
CHRM1 P11229 2/20 0.57
CHRM2 P08172 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TMEM97 Q5BJF2 5/20 0.55
SIGMAR1 Q99720 5/20 0.55
HTR1A P08908 2/20 0.55
HRH2 P25021 2/20 0.55
HRH1 P35367 2/20 0.55
HRH3 Q9Y5N1 2/20 0.55
ADRA2C P18825 1/20 0.55
L3MBTL3 Q96JM7 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ALOX15 P16050 1/20 0.54
GRIN2B Q13224 1/20 0.53

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
SCHEMBL24183442 0.99 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19CHRM1
SCHEMBL30738370 0.97 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19CHRM1
SCHEMBL14529024 0.97 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19CHRM1
SCHEMBL14528537 0.94 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19CHRM1
SCHEMBL14528428 0.94 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19CHRM1
SCHEMBL38659093 0.91 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19CHRM1
SCHEMBL14529819 0.90 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19CHRM1
SCHEMBL25030757 0.88 SMN1; SMN2 (0.85) SMN1; SMN2NPC1RAB9ACYP2C19CHRM1
SCHEMBL2744456 0.88 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19CHRM1
SCHEMBL13636153 0.88 SIGMAR1 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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