SCHEMBL8774458

SCHEMBL8774458

CCCCC[C@H]1CC[C@H](C2CCC(c3cnc(F)c(F)c3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
GAA P10253 3/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
MAPK1 P28482 3/20 0.32
CYP2C9 P11712 2/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
PKM P14618 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
SCHEMBL8774478 1.00 MAPT (0.37) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL8774471 1.00 MAPT (0.37) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL8774467 1.00 MAPT (0.37) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL8774905 0.99 MAPT (0.39) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL8774915 0.99 MAPT (0.39) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL8774922 0.99 MAPT (0.39) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL8774907 0.99 MAPT (0.39) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL8774273 0.96 MEN1 (0.35) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL8774268 0.96 MEN1 (0.35) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL8774284 0.96 MEN1 (0.35) MAPTGAAMEN1KMT2AMAPK1

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