SCHEMBL14214939

SCHEMBL14214939

CCOC(=O)C1(c2ccccc2)CCCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.51
OPRD1 P41143 5/20 0.51
OPRK1 P41145 5/20 0.51
SLC22A1 O15245 1/20 0.51
SLC6A4 P31645 1/20 0.51
ADRA1A P35348 1/20 0.51
KCNH2 Q12809 1/20 0.51
HDAC9 Q9UKV0 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
KCNA3 P22001 1/20 0.44
PRCP P42785 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL14214940 0.83 HDAC9 (0.47) HDAC9SMN1; SMN2PRCPSIGMAR1
SCHEMBL5753305 0.82 SMN1; SMN2 (0.49) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL11635159 0.81 OPRM1 (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL12185507 0.78 OPRM1 (0.45) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL17316049 0.77 HDAC9 (0.67) HDAC9SIGMAR1
SCHEMBL11666841 0.77 OPRM1 (0.45) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL14214917 0.77 HDAC9 (0.57) HDAC9SIGMAR1
SCHEMBL11804398 0.75 HDAC9 (0.41) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL23225663 0.75 OPRM1 (0.75) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6660823 0.75 OPRM1 (0.75) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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-2008049806-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2008-05-02 WO disclosed