SCHEMBL7084381

SCHEMBL7084381

O=C(NCC12CCCC(CCC1)C2)c1ccnc(Cl)c1Cl.[CH2]

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 17/20 0.47
SLC6A9 P48067 1/20 0.43
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL5710569 0.84 P2RX7 (0.65) P2RX7MEN1ALDH1A1HPGDKMT2A
SCHEMBL8086064 0.80 P2RX7 (0.73) P2RX7
SCHEMBL5773539 0.77 P2RX7 (0.50) P2RX7
SCHEMBL8081036 0.76 P2RX7 (0.52) P2RX7
SCHEMBL7517360 0.76 P2RX7 (0.72) P2RX7
SCHEMBL6497265 0.75 P2RX7 (0.56) P2RX7HPGD
SCHEMBL7690936 0.75 P2RX7 (0.73) P2RX7
SCHEMBL8080894 0.75 P2RX7 (0.56) P2RX7
SCHEMBL4095273 0.75 P2RX7 (0.56) P2RX7
SCHEMBL7522787 0.74 P2RX7 (0.58) 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-1292590-A1 ADMANTANE DERIVATIVES AstraZeneca AB (SE) 2003-03-19 EP disclosed
WO-2001094338-A1 ADMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2001-12-13 WO disclosed