SCHEMBL6653472

SCHEMBL6653472

CCC(CC)CNCCCNc1ccc2c(C(C(N)=O)C34CC5CC(CC(C5)C3)C4)cccc2n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.45
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
EPHX2 P34913 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
P2RX3 P56373 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
CACNA1G O43497 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
SCHEMBL6651900 0.95 P2RX7 (0.47) P2RX7CNR1CNR2EPHX2ALDH1A1
SCHEMBL6653481 0.87 P2RX7 (0.45) P2RX7ALDH1A1LMNA
SCHEMBL6694983 0.87 P2RX7 (0.43) P2RX7
SCHEMBL6651560 0.87 P2RX7 (0.43) P2RX7LMNA
SCHEMBL6655639 0.86 P2RX7 (0.45) P2RX7CNR1CNR2ALDH1A1LMNA
SCHEMBL6655499 0.85 P2RX7 (0.42) P2RX7EPHX2LMNAKDM4EMAPT
SCHEMBL6686286 0.85 P2RX7 (0.43) P2RX7EPHX2KDM4E
SCHEMBL6647801 0.84 P2RX7 (0.52) P2RX7CNR1CNR2EPHX2ALDH1A1
SCHEMBL6658009 0.84 P2RX7 (0.42) P2RX7EPHX2KDM4EMAPT
Hydrochloric Acid SCHEMBL6674326 0.83 P2RX7 (0.60) P2RX7CNR2ALDH1A1LMNAKDM4E

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 4 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
EP-1490341-A1 NOVEL ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2004-12-29 EP disclosed
WO-2003080579-A1 NOVEL ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2003-10-02 WO disclosed