SCHEMBL13905729

SCHEMBL13905729

O=C(O)C1CN(CC2CCCCC2)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ CHRM5 P08912 2/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ GBA1 P04062 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ GRM2 Q14416 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KDM2B Q8NHM5 5/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CCR1 P32246 2/20 0.38

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
SCHEMBL13905846 0.98 SMN1; SMN2 (0.47) SMN1; SMN2CHRM5ADRA2CGBA1ACHE
SCHEMBL17873962 0.94 SMN1; SMN2 (0.43) SMN1; SMN2CHRM5ADRA2CGBA1KDM2B
SCHEMBL4678458 0.90 PLG (0.45) SMN1; SMN2KDM2B
SCHEMBL27584327 0.85 CHRM5 (0.52) SMN1; SMN2CHRM5ADRA2CKDM4EMAPK1
SCHEMBL27564353 0.83 KDM2B (0.52) CHRM5ADRA2CKDM4EMAPK1KDM2B
SCHEMBL31377131 0.81 GBA1 (0.49) GBA1KDM2BCHRM2CHRM4
SCHEMBL27584353 0.79 KDM2B (0.52) KDM2B
SCHEMBL21047314 0.77 KDM2B (0.57) KDM2B
SCHEMBL20438228 0.76 SMN1; SMN2 (0.42) SMN1; SMN2CHRM5ADRA2CGBA1ACHE
SCHEMBL10509286 0.72 GBA1 (0.56) SMN1; SMN2CHRM5ADRA2CGBA1ACHE

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-2009032326-A1 NEW TETRACYCLINE DERIVATIVES AS ANTIINFECTIVE AGENTS DR. REDDY'S LABORATORIES LTD. (IN) 2009-03-12 — — WO disclosed
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