SCHEMBL6467229

SCHEMBL6467229

O=C(CCCNC(=O)C(CNC(=O)N1CCOCC1)S(=O)(=O)CC1CC1)c1nc2ccccc2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.40
FAAH O00519 3/20 0.39
CES1 P23141 2/20 0.39
DAGLA Q9Y4D2 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
TACR2 P21452 2/20 0.38
LIPC P11150 2/20 0.38
LIPG Q9Y5X9 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL7043175 0.90 DAGLA (0.46) CTSSFAAHCES1DAGLAALDH1A1
SCHEMBL6462778 0.89 KDM4E (0.39) CTSSFAAHCES1DAGLAALDH1A1
SCHEMBL6467366 0.87 DAGLA (0.47) FAAHCES1DAGLAALDH1A1KMT2A
SCHEMBL6463188 0.87 DAGLA (0.48) FAAHCES1DAGLAALDH1A1KMT2A
SCHEMBL5731270 0.86 TACR2 (0.43) CTSSFAAHCES1DAGLAALDH1A1
SCHEMBL6467383 0.83 FAAH (0.40) CTSSFAAHCES1DAGLAALDH1A1
SCHEMBL6467703 0.83 FAAH (0.40) FAAHCES1DAGLAALDH1A1KMT2A
SCHEMBL6062448 0.83 FAAH (0.38) CTSSFAAHCES1DAGLAALDH1A1
SCHEMBL6461887 0.82 DRD2 (0.41) FAAHCES1DAGLAALDH1A1KMT2A
SCHEMBL6463801 0.81 FAAH (0.38) CTSSFAAHCES1DAGLAALDH1A1

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
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP claimed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US claimed