SCHEMBL13661295

SCHEMBL13661295

CC[C@@H]1CN(C2CCN(C(=O)OCc3ccccc3)CC2)C[C@H](C)O1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.56
▸ KDM4E B2RXH2 5/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ ALDH1A1 P00352 5/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CYP2C19 P33261 2/20 0.51
▸ MEN1 O00255 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ HTT P42858 1/20 0.47
▸ CHRM2 P08172 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ GRIN2B Q13224 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL17946346 0.91 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EKMT2ANPC1RAB9A
SCHEMBL17128133 0.86 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EKMT2ANPC1RAB9A
SCHEMBL18912571 0.80 SMN1; SMN2 (0.60) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL15340724 0.79 SMN1; SMN2 (0.61) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL19001214 0.78 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EKMT2ANPC1RAB9A
SCHEMBL14529024 0.77 SMN1; SMN2 (0.68) SMN1; SMN2KMT2ANPC1RAB9ACYP2C19
SCHEMBL26077286 0.77 MEN1 (0.62) SMN1; SMN2KMT2ANPC1RAB9ACYP2C19
SCHEMBL13431982 0.76 SMN1; SMN2 (0.64) SMN1; SMN2KMT2ANPC1RAB9ACYP2C19
SCHEMBL4281745 0.76 MEN1 (0.73) SMN1; SMN2KMT2ANPC1RAB9ACYP2C19
SCHEMBL13661301 0.76 SMN1; SMN2 (0.57) SMN1; SMN2KMT2ANPC1RAB9ACYP2C19

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
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