SCHEMBL27896392

SCHEMBL27896392

COc1cccc(C(=O)N2CCCC2NC=O)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.50
▸ HCRTR1 O43613 1/20 0.50
▸ HCRTR2 O43614 1/20 0.50
▸ PREP P48147 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ TSHR P16473 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ GRM5 P41594 1/20 0.47
▸ HSD11B1 P28845 1/20 0.47
▸ MGLL Q99685 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KDM2B Q8NHM5 3/20 0.46

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
SCHEMBL27896410 0.85 HPGD (0.50) ALDH1A1TSHRHSD11B1MEN1KMT2A
SCHEMBL27879616 0.81 HRH3 (0.49) PREPALDH1A1MEN1KMT2A
SCHEMBL13753510 0.80 HPGD (0.57) HCRTR1HCRTR2PREPALDH1A1TSHR
SCHEMBL15743801 0.78 HCRTR1 (0.53) HCRTR1HCRTR2ALDH1A1L3MBTL1
SCHEMBL713579 0.77 — —
SCHEMBL13570365 0.77 SPHK2 (0.58) HCRTR1HCRTR2ALDH1A1L3MBTL1
SCHEMBL30524747 0.77 SPHK2 (0.58) HCRTR1HCRTR2ALDH1A1L3MBTL1
SCHEMBL16759939 0.77 HSD11B1 (0.58) HCRTR1HCRTR2PREPALDH1A1L3MBTL1
SCHEMBL27896409 0.76 HTT (0.51) PREPALDH1A1TSHRHSD11B1MEN1
SCHEMBL14664151 0.75 LMNA (0.52) GFERHCRTR1HCRTR2ALDH1A1L3MBTL1

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
CN-102791693-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2012-11-21 — — CN claimed
Send feedback