SCHEMBL17690754

SCHEMBL17690754

O=C(CCCC(=O)N1CCCC2CCCCC21)NC1CC2CCCC(C2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
DPP4 P27487 1/20 0.37
FAP Q12884 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
NCOR2 Q9Y618 1/20 0.36
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
PDE3B Q13370 1/20 0.35

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
SCHEMBL771390 0.86 SMN1; SMN2 (0.53) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL772428 0.86 SMN1; SMN2 (0.53) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL770601 0.84 EPHX2 (0.47) DPP4FAPDPP7DRD2DRD4
SCHEMBL771159 0.83 DPP4 (0.44) SMN1; SMN2DPP4FAPDPP7DRD2
SCHEMBL17690740 0.82 SMN1; SMN2 (0.41) SMN1; SMN2DPP4FAPDPP7NPC1
SCHEMBL769928 0.82 L3MBTL1 (0.46) SMN1; SMN2DPP4FAPDPP7NPC1
SCHEMBL770615 0.80 DRD2 (0.49) SMN1; SMN2DPP7DRD2DRD4NPC1
SCHEMBL770313 0.79 MAPT (0.54) SMN1; SMN2DPP4NPC1RAB9AHPGD
SCHEMBL771370 0.79 HDAC3 (0.49) DPP4FAPDPP7NPC1RAB9A
SCHEMBL770692 0.78 NPC1 (0.46) SMN1; SMN2DPP4DRD2DRD4NPC1

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