SCHEMBL31258485

SCHEMBL31258485

O=C(OCc1ccccc1)N1CCCCC1CN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HRH3 Q9Y5N1 3/20 0.51
PREP P48147 2/20 0.51
TMEM97 Q5BJF2 4/20 0.50
SIGMAR1 Q99720 4/20 0.50
OPRK1 P41145 1/20 0.48
AADAT Q8N5Z0 1/20 0.47
TP53 P04637 1/20 0.46
FKBP1A P62942 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
SCHEMBL13660819 0.88 HRH3 (0.61) HRH3PREPOPRK1
SCHEMBL1190565 0.82 SPHK2 (0.54) PREPTMEM97SIGMAR1FKBP1A
SCHEMBL80752 0.82 SPHK2 (0.54) PREPTMEM97SIGMAR1FKBP1A
SCHEMBL3605585 0.82 SPHK2 (0.54) PREPTMEM97SIGMAR1FKBP1A
SCHEMBL2961611 0.81 TMEM97 (0.50) HRH3TMEM97SIGMAR1OPRK1FKBP1A
SCHEMBL13961188 0.81 SMN1; SMN2 (0.52) PREPTMEM97SIGMAR1FKBP1A
SCHEMBL13198885 0.81 NPC1 (0.60) MEN1KMT2APREPTMEM97SIGMAR1
SCHEMBL5305188 0.81 SMN1; SMN2 (0.52) PREPTMEM97SIGMAR1FKBP1A
SCHEMBL14646609 0.81 NPC1 (0.60) MEN1KMT2APREPTMEM97SIGMAR1
SCHEMBL1778110 0.81 SMN1; SMN2 (0.51) KMT2APREPTMEM97SIGMAR1FKBP1A

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
CN-115715289-B Polyarylate and application thereof 江苏先声药业有限公司 2024-12-03 CN disclosed