SCHEMBL7568670

SCHEMBL7568670

O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccccc1I

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.71
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL8381564 0.84 P2RX7 (0.72) P2RX7
SCHEMBL7572613 0.84 P2RX7 (0.72) P2RX7MEN1ALDH1A1KMT2A
SCHEMBL14160432 0.83 P2RX7 (0.71) P2RX7
SCHEMBL7568709 0.83 P2RX7 (1.00) P2RX7MEN1ALDH1A1KMT2A
SCHEMBL7571529 0.83 P2RX7 (1.00) P2RX7
SCHEMBL31424200 0.83 P2RX7 (0.76) P2RX7
SCHEMBL7570190 0.83 P2RX7 (1.00) P2RX7
SCHEMBL7573037 0.82 P2RX7 (0.69) P2RX7MEN1ALDH1A1KMT2A
SCHEMBL7572585 0.80 P2RX7 (0.70) P2RX7MEN1ALDH1A1KMT2A
SCHEMBL7571551 0.80 P2RX7 (0.66) 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-1036059-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2002-09-18 EP claimed
EP-1036059-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2002-09-18 EP disclosed