SCHEMBL22366352

SCHEMBL22366352

O=C(O)N1CCc2c(cccc2OCCCCOC2CCCOC2)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 10/20 0.46
▸ ABHD6 Q9BV23 1/20 0.44
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ HRH3 Q9Y5N1 3/20 0.40
▸ CPT2 P23786 1/20 0.40
▸ CPT1A P50416 1/20 0.40
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HTR7 P34969 1/20 0.36
▸ NAMPT P43490 1/20 0.36

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
SCHEMBL22366353 0.83 ABHD6 (0.48) S1PR5ABHD6HRH3CPT2CPT1A
SCHEMBL22319878 0.78 ABHD6 (0.54) S1PR5ABHD6HRH3CPT2CPT1A
SCHEMBL22319858 0.77 ABHD6 (0.55) S1PR5ABHD6HRH3CPT2CPT1A
SCHEMBL22319845 0.76 ABHD6 (0.54) S1PR5ABHD6HRH3CPT2CPT1A
SCHEMBL20983789 0.76 ABHD6 (0.69) S1PR5ABHD6HRH3CPT2CPT1A
SCHEMBL17607362 0.75 ACACB (0.51) ABHD6CPT2CPT1A
SCHEMBL25384043 0.73 ABHD6 (0.50) S1PR5ABHD6HRH3CPT2CPT1A
SCHEMBL28864977 0.72 ABHD6 (0.49) ABHD6CPT2CPT1AHPGDHSD17B10
SCHEMBL22319832 0.72 ABHD6 (0.50) S1PR5ABHD6HRH3CPT2CPT1A
SCHEMBL5773186 0.72 HRH3 (0.47) S1PR5ABHD6HRH3CPT2CPT1A

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
EP-3700911-A1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier SAS (FR) 2020-09-02 — — EP disclosed
Send feedback