SCHEMBL8774743

SCHEMBL8774743

CCCCC[C@H]1CC[C@H](c2ccc(C#Cc3cc(F)c(F)nc3Cl)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
SPHK1 Q9NYA1 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
S1PR3 Q99500 1/20 0.31

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
SCHEMBL8774749 1.00 MAPT (0.34) MAPTGAAMEN1KMT2ACYP2C9
SCHEMBL8775163 0.97 CYP2C9 (0.33) MAPTGAAMEN1KMT2ACYP2C9
SCHEMBL8775169 0.97 CYP2C9 (0.33) MAPTGAAMEN1KMT2ACYP2C9
SCHEMBL8774538 0.93 CYP2C9 (0.39) MAPTMEN1KMT2ACYP2C9ALDH1A1
SCHEMBL8774534 0.93 CYP2C9 (0.39) MAPTMEN1KMT2ACYP2C9ALDH1A1
SCHEMBL8774384 0.91 MAPT (0.35) MAPTGAAMEN1KMT2ACYP2C9
SCHEMBL8774375 0.91 MAPT (0.35) MAPTGAAMEN1KMT2ACYP2C9
SCHEMBL8774514 0.88 FFAR1 (0.31)
SCHEMBL8774506 0.88 FFAR1 (0.31)
SCHEMBL8774790 0.87 CYP2C9 (0.35) MAPTGAAMEN1KMT2ACYP2C9

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