SCHEMBL9813614

SCHEMBL9813614

CC1CC(C)(C)N(C)C(C)(C)C1.NC(=O)OCCCCCCOC(N)=O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
LMNA P02545 2/20 0.33
ALOX15 P16050 2/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
HTR1A P08908 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHRNA7 P36544 1/20 0.33
CTNNB1 P35222 1/20 0.33
CYP2D6 P10635 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL9813582 0.79 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
Cyclohexane SCHEMBL9813712 0.78 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9813845 0.75 NAAA (0.40) LMNATSHREPHX2
SCHEMBL2059697 0.71 TSHR (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5721317 0.71 TSHR (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL31296577 0.71 TSHR (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
Succinic Acid SCHEMBL9813641 0.71 KDM4E (0.36) LMNATSHRCYP2C19EPHX2
SCHEMBL2746089 0.71 TSHR (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2136691 0.71 TSHR (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2139712 0.71 TSHR (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3

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