SCHEMBL5684207

SCHEMBL5684207

CC=C[C@@H]1CC[C@H]2[C@H](CC[C@H]3C[C@H](c4ccc(F)cc4)CC[C@@H]32)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
MAP1LC3B Q9GZQ8 1/20 0.31
KDM1A O60341 1/20 0.30

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
SCHEMBL5684210 1.00 SLC6A3 (0.33) SLC6A3SLC6A2SLC6A4MAP1LC3BKDM1A
SCHEMBL6462612 0.93 MAP1LC3B (0.33) SLC6A3SLC6A2SLC6A4MAP1LC3BKDM1A
SCHEMBL7918486 0.93 MAP1LC3B (0.33) SLC6A3SLC6A2SLC6A4MAP1LC3BKDM1A
SCHEMBL6462607 0.93 MAP1LC3B (0.33) SLC6A3SLC6A2SLC6A4MAP1LC3BKDM1A
SCHEMBL6462613 0.93 MAP1LC3B (0.33) SLC6A3SLC6A2SLC6A4MAP1LC3BKDM1A
SCHEMBL6456844 0.89 PTGS2 (0.35) SLC6A3SLC6A2SLC6A4MAP1LC3BKDM1A
SCHEMBL6456841 0.89 PTGS2 (0.35) SLC6A3SLC6A2SLC6A4MAP1LC3BKDM1A
SCHEMBL6456849 0.89 PTGS2 (0.35) SLC6A3SLC6A2SLC6A4MAP1LC3BKDM1A
SCHEMBL12031967 0.87 MAP1LC3B (0.36) MAP1LC3BKDM1A
SCHEMBL5683532 0.86 HTR3A (0.33) MAP1LC3B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067179-B1 Fused ring compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-06-27 US disclosed
EP-1201632-B1 FUSED RING COMPOUND DAINIPPON INK & CHEMICALS (JP) 2006-03-29 EP disclosed
EP-1201632-A1 FUSED RING COMPOUND DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-05-02 EP disclosed