SCHEMBL6658009

SCHEMBL6658009

NC(=O)C(c1cccc2nc(NCCCNCc3ccccc3F)ccc12)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.42
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
MPO P05164 1/20 0.32
SLC6A4 P31645 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
VCP P55072 1/20 0.32
EPHX2 P34913 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
SCHEMBL6686286 0.91 P2RX7 (0.43) P2RX7KDM4EMEN1KMT2AEPHX2
SCHEMBL6694983 0.91 P2RX7 (0.43) P2RX7MEN1KMT2AAURKARPS6KB1
SCHEMBL6651560 0.85 P2RX7 (0.43) P2RX7MEN1KMT2ASMN1; SMN2
SCHEMBL6653472 0.84 P2RX7 (0.45) P2RX7KDM4EMAPTEPHX2
SCHEMBL6655499 0.83 P2RX7 (0.42) P2RX7KDM4EAURKARPS6KB1MAPT
SCHEMBL6653481 0.82 P2RX7 (0.45) P2RX7
SCHEMBL6647801 0.81 P2RX7 (0.52) P2RX7EPHX2
Hydrochloric Acid SCHEMBL6674326 0.80 P2RX7 (0.60) P2RX7KDM4EMAPT
SCHEMBL6651900 0.79 P2RX7 (0.47) P2RX7KDM4ESMN1; SMN2MAPTEPHX2
SCHEMBL4506903 0.78 P2RX7 (0.71) P2RX7

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-1490341-A1 NOVEL ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2004-12-29 EP claimed
WO-2003080579-A1 NOVEL ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2003-10-02 WO claimed