SCHEMBL8774197

SCHEMBL8774197

CCCCCC1CCC(C(C)c2ccc(-c3cnc(Cl)c(Cl)c3)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
FPR2 P25090 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
GRM2 Q14416 4/20 0.32
PTGS2 P35354 5/20 0.31
VEGFA P15692 1/20 0.31
FLT1 P17948 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
MAP4K4 O95819 1/20 0.31
IDO1 P14902 2/20 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
SCHEMBL8774253 0.99 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3FPR2PROKR1
SCHEMBL8774193 0.99 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3FPR2PROKR1
SCHEMBL8774317 0.97 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3FPR2PROKR1
SCHEMBL8774293 0.92 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3FPR2PROKR1
SCHEMBL8775244 0.87 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3FPR2PROKR1
SCHEMBL9158461 0.86 AKR1C3 (0.34) SLC6A2SLC6A4SLC6A3GAAMAPT
SCHEMBL9874769 0.85 AKR1C3 (0.34) SLC6A2SLC6A4SLC6A3GAAMAPT
SCHEMBL9160035 0.85 GAA (0.35) SLC6A2SLC6A4SLC6A3GAAMAPT
SCHEMBL9157702 0.85 GAA (0.35) SLC6A2SLC6A4SLC6A3GAAMAPT
SCHEMBL8774329 0.84 MAPT (0.38) GAAMAPT

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-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed