SCHEMBL6647801

SCHEMBL6647801

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.52
CNR2 P34972 3/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CNR1 P21554 1/20 0.33
EPHX2 P34913 2/20 0.31
PDE5A O76074 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
Hydrochloric Acid SCHEMBL6674326 0.92 P2RX7 (0.60) P2RX7CNR2ALDH1A1LMNA
SCHEMBL6651900 0.86 P2RX7 (0.47) P2RX7CNR2ALDH1A1LMNACNR1
SCHEMBL6653472 0.84 P2RX7 (0.45) P2RX7CNR2ALDH1A1LMNACNR1
SCHEMBL6653481 0.83 P2RX7 (0.45) P2RX7ALDH1A1LMNA
SCHEMBL6655639 0.83 P2RX7 (0.45) P2RX7CNR2ALDH1A1LMNACNR1
SCHEMBL6651560 0.82 P2RX7 (0.43) P2RX7LMNA
SCHEMBL6694983 0.82 P2RX7 (0.43) P2RX7
SCHEMBL6686286 0.82 P2RX7 (0.43) P2RX7EPHX2
SCHEMBL6658009 0.81 P2RX7 (0.42) P2RX7EPHX2
SCHEMBL6655499 0.80 P2RX7 (0.42) P2RX7LMNAEPHX2

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 disclosed
WO-2003080579-A1 NOVEL ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2003-10-02 WO disclosed