SCHEMBL9766646

SCHEMBL9766646

CCCC1CCC(C2CCC(c3ccc(Cl)nc3F)CC2)CC1.CCCCC1CCC(C2CCC(c3ccc(Cl)nc3F)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.36
MEN1 O00255 3/20 0.36
MAPK1 P28482 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
CYP2C9 P11712 2/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 2/20 0.36
NPC1 O15118 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
OPRL1 P41146 10/20 0.34
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL9766648 1.00 GAA (0.36) GAAMEN1MAPK1KMT2AMAPT
SCHEMBL9766642 1.00 GAA (0.36) GAAMEN1MAPK1KMT2AMAPT
SCHEMBL9156440 0.99 GAA (0.37) GAAMEN1MAPK1KMT2AMAPT
SCHEMBL9156448 0.99 GAA (0.37) GAAMEN1MAPK1KMT2AMAPT
SCHEMBL9156444 0.99 GAA (0.37) GAAMEN1MAPK1KMT2AMAPT
SCHEMBL9156434 0.99 GAA (0.37) GAAMEN1MAPK1KMT2AMAPT
SCHEMBL9158383 0.95 GAA (0.39) GAAMEN1MAPK1KMT2AMAPT
SCHEMBL9158376 0.95 GAA (0.39) GAAMEN1MAPK1KMT2AMAPT
SCHEMBL9158368 0.95 GAA (0.39) GAAMEN1MAPK1KMT2AMAPT
SCHEMBL9158362 0.95 GAA (0.39) GAAMEN1MAPK1KMT2AMAPT

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
EP-0445248-A1 PYRIDINE DERIVATIVES. MERCK PATENT GMBH (DE) 1991-09-11 EP disclosed