SCHEMBL7785487

SCHEMBL7785487

Cc1ccc(C(N[C@H](C)c2cccc(F)c2)c2cccc(N)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.36
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 2/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
KRAS P01116 1/20 0.34
SOS1 Q07889 1/20 0.34
ACHE P22303 1/20 0.34
NFE2L2 Q16236 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34

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
SCHEMBL7785286 0.92 LMNA (0.35) SLC6A2SLC6A4LMNAALDH1A1MAPKAPK2
SCHEMBL7787788 0.92 CASR (0.37) CASRSLC6A2SLC6A4MAPK1LMNA
SCHEMBL7780426 0.91 SLC6A2 (0.41) CASRSLC6A2SLC6A4MAPK1LMNA
SCHEMBL28746788 0.91 SLC6A2 (0.41) CASRSLC6A2SLC6A4MAPK1LMNA
SCHEMBL7780705 0.88 LMNA (0.34) SLC6A2SLC6A4MAPK1LMNAALDH1A1
SCHEMBL7785653 0.88 SLC6A2 (0.36) CASRSLC6A2SLC6A4
SCHEMBL7785553 0.88 LMNA (0.34) SLC6A2SLC6A4MAPK1LMNAALDH1A1
SCHEMBL7785107 0.86 ALDH1A1 (0.50) CASRLMNAALDH1A1GAAKRAS
SCHEMBL27530316 0.86 ALDH1A1 (0.50) CASRLMNAALDH1A1GAAKRAS
SCHEMBL7780790 0.86 ALDH1A1 (0.50) CASRLMNAALDH1A1GAAKRAS

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
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed