SCHEMBL4535612

SCHEMBL4535612

O=C(NCC1CCN(C(=O)Nc2ccccc2Cl)CC1)N[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.58
GAA P10253 3/20 0.51
TSHR P16473 1/20 0.51
BRD4 O60885 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 3/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 3/20 0.44
EPHX1 P07099 1/20 0.44
EPHX2 P34913 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43

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
SCHEMBL4541042 0.94 FAAH (0.53) FAAHGAATSHRBRD4MEN1
SCHEMBL4543058 0.88 USP30 (0.55) FAAHMEN1KMT2AMAPTTAS1R3
SCHEMBL4537737 0.86 KMT2A (0.60) GAABRD4MEN1KMT2AMAPT
SCHEMBL4542474 0.82 USP30 (0.58) MEN1KMT2AL3MBTL1MAPTTAS1R3
SCHEMBL4535122 0.81 KMT2A (0.60) TSHRBRD4MEN1KMT2AEPHX1
SCHEMBL4531024 0.80 MEN1 (0.55) GAAMEN1KMT2AMAPTLMNA
SCHEMBL4537217 0.79 BRD4 (0.55) FAAHGAATSHRBRD4L3MBTL1
SCHEMBL4535382 0.78 EPHX2 (0.59) EPHX2
SCHEMBL4535609 0.78 EPHX1 (0.65) FAAHEPHX1EPHX2
SCHEMBL4541265 0.78 BRD4 (0.48) BRD4MEN1KMT2AL3MBTL1NPC1

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
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO claimed
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed