SCHEMBL9813719

SCHEMBL9813719

CC(=O)OCCN1C(C)(C)CC(C)CC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
SLC18A3 Q16572 1/20 0.36
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRNB2 P17787 1/20 0.33
TBXA2R P21731 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRNA10 Q9GZZ6 1/20 0.33
CHRNA9 Q9UGM1 1/20 0.33
TSHR P16473 1/20 0.33
GALR3 O60755 2/20 0.32

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
SCHEMBL9835731 0.86 ALDH1A1 (0.37) ALDH1A1SLC18A3CHRM5CHRM1CHRM3
SCHEMBL16371608 0.83 TSHR (0.43) ALDH1A1SLC18A3CHRM5CHRM1CHRM3
Cyclohexane SCHEMBL9813712 0.82 CHRM2 (0.33) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL10682961 0.81 ALDH1A1 (0.33) ALDH1A1SLC18A3CHRM5CHRM1CHRM3
SCHEMBL11526038 0.80 SLC18A3 (0.35) ALDH1A1SLC18A3
SCHEMBL11811701 0.79 ALDH1A1 (0.39) ALDH1A1SLC18A3CHRM5CHRM1CHRM3
SCHEMBL11177357 0.77 TSHR (0.36) ALDH1A1SLC18A3CHRM5CHRM1CHRM3
SCHEMBL11173444 0.77 KMT2A (0.41) ALDH1A1SLC18A3SMN1; SMN2TSHRGAA
SCHEMBL11741459 0.77 ALDH1A1 (0.38) ALDH1A1SLC18A3CHRM5CHRM1CHRM3
SCHEMBL14947111 0.76 MEN1 (0.33) ALDH1A1SLC18A3CHRM5CHRM1CHRM3

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
EP-0163245-B1 DERIVATIVES OF ALKYL-SUBSTITUTED 4-HYDROXY-METHYL-PIPERIDINE AND USE THEREOF AS STABILIZERS AUSIMONT S.r.l. (IT) 1991-07-31 EP disclosed
EP-0163245-A2 Derivatives of alkyl-substituted 4-hydroxy-methyl-piperidine and use thereof as stabilizers AUSIMONT S.r.l. (IT) 1985-12-04 EP disclosed