SCHEMBL17690709

SCHEMBL17690709

O=C(CCCC(=O)N1CCCC2CCCCC21)NCc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DPP4 P27487 3/20 0.44
HSD11B1 P28845 2/20 0.44
LMNA P02545 1/20 0.43
TPSAB1 Q15661 1/20 0.43
GAA P10253 1/20 0.42
DPP8 Q6V1X1 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
F2 P00734 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL769899 0.90 DRD2 (0.57) DRD2DRD4HSD11B1LMNANPC1
SCHEMBL770291 0.90 GAA (0.56) DPP4HSD11B1LMNAGAADPP8
SCHEMBL770465 0.89 DPP4 (0.45) TRPV1DRD2DRD4DPP4DPP8
SCHEMBL770456 0.87 MEN1 (0.55) DPP4HSD11B1LMNAGAADPP8
SCHEMBL771171 0.87 HDAC3 (0.51) DRD2DRD4DPP4HSD11B1LMNA
SCHEMBL770444 0.87 ALDH1A1 (0.51) TRPV1DPP4LMNAGAACNR1
SCHEMBL769950 0.84 HRH3 (0.53) DRD2DRD4HSD11B1LMNA
SCHEMBL770499 0.82 HPGD (0.54) NPC1RAB9A
SCHEMBL771331 0.82 MAPT (0.57) GAASMN1; SMN2
SCHEMBL772521 0.79 HRH3 (0.54) DPP4F2NPC1RAB9A

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-2439202-B1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 SALVAT LAB SA (ES) 2016-04-20 EP disclosed