SCHEMBL14503554

SCHEMBL14503554

c1ccc2cc(Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)ccc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.70
LMNA P02545 4/20 0.68
SMN1; SMN2 Q16637 1/20 0.64
HTT P42858 3/20 0.62
ALDH1A1 P00352 2/20 0.60
MAPT P10636 3/20 0.58
KMT2A Q03164 3/20 0.58
GAA P10253 1/20 0.58
TAAR1 Q96RJ0 1/20 0.58
IDH2 P48735 1/20 0.56
PTGS2 P35354 4/20 0.56
MEN1 O00255 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GBA1 P04062 1/20 0.50
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL14504241 0.96 NPSR1 (0.68) NPSR1LMNASMN1; SMN2HTTALDH1A1
SCHEMBL14503144 0.83 NPSR1 (0.94) NPSR1LMNASMN1; SMN2HTTALDH1A1
SCHEMBL14504268 0.81 NPSR1 (0.63) NPSR1LMNASMN1; SMN2HTTALDH1A1
SCHEMBL14503724 0.81 NPSR1 (0.82) NPSR1LMNASMN1; SMN2HTTALDH1A1
SCHEMBL14503165 0.80 NPSR1 (0.62) NPSR1LMNASMN1; SMN2HTTALDH1A1
SCHEMBL14503192 0.80 NPSR1 (0.62) NPSR1LMNASMN1; SMN2HTTALDH1A1
SCHEMBL14503346 0.80 NPSR1 (0.62) NPSR1LMNASMN1; SMN2HTTALDH1A1
SCHEMBL11807869 0.80 NPSR1 (0.93) NPSR1LMNASMN1; SMN2HTTALDH1A1
SCHEMBL14503595 0.79 RAB9A (0.54) NPSR1LMNASMN1; SMN2HTTALDH1A1
SCHEMBL14503558 0.78 LMNA (0.71) NPSR1LMNASMN1; SMN2HTTALDH1A1

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
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed