SCHEMBL2848938

SCHEMBL2848938

CC1CCCC(CN)C1CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GABRR1 P24046 5/20 0.38
▸ GABRR2 P28476 1/20 0.38
▸ SLC6A12 P48065 3/20 0.35
▸ SLC6A11 P48066 3/20 0.35
▸ SLC6A13 Q9NSD5 3/20 0.35
▸ PEPD P12955 1/20 0.34
▸ EPHX1 P07099 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ USP2 O75604 1/20 0.31
▸ GABRA5 P31644 2/20 0.31
▸ GABRB2 P47870 2/20 0.31

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
SCHEMBL21510225 0.77 SLC6A12 (0.43) GABRR1SLC6A12SLC6A11SLC6A13EPHX1
SCHEMBL301401 0.77 SLC6A12 (0.43) GABRR1SLC6A12SLC6A11SLC6A13EPHX1
SCHEMBL27569047 0.77 SLC6A12 (0.48) GABRR1GABRR2SLC6A12SLC6A11SLC6A13
SCHEMBL6427735 0.76 SLC6A12 (0.43) GABRR1GABRR2SLC6A12SLC6A11SLC6A13
SCHEMBL28633890 0.76 CA1 (0.43) EPHX1HSD11B1USP2
SCHEMBL1927992 0.74 HSD11B1 (0.44) GABRR1SLC6A12SLC6A11SLC6A13HSD11B1
SCHEMBL23075049 0.73 — —
SCHEMBL21400989 0.73 — —
SCHEMBL22333678 0.73 — —
SCHEMBL20865149 0.73 — —

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-2262367-A2 ORAL PHARMACEUTICAL COMPOSITIONS OF BUPRENORPHINE AND METHOD OF USE Theraquest Biosciences, Inc. (US) 2010-12-22 — — EP disclosed
WO-2009114118-A2 ORAL PHARMACEUTICAL COMPOSITIONS OF BUPRENORPHINE AND METHOD OF USE THERAQUEST BIOSCIENCES, INC. (US) 2009-09-17 — — WO disclosed
Send feedback