SCHEMBL7571985

SCHEMBL7571985

O=C(NCC12CC3CC(CC(C3)C1)C2)c1c(F)cccc1C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.63
EPHX2 P34913 3/20 0.54
ADORA2A P29274 1/20 0.52

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
SCHEMBL7571999 0.88 P2RX7 (0.70) P2RX7EPHX2ADORA2A
SCHEMBL7571551 0.81 P2RX7 (0.66) P2RX7EPHX2
SCHEMBL7571956 0.78 P2RX7 (1.00) P2RX7EPHX2
SCHEMBL14160432 0.77 P2RX7 (0.71) P2RX7EPHX2ADORA2A
SCHEMBL7576509 0.75 P2RX7 (0.77) P2RX7EPHX2ADORA2A
SCHEMBL13753145 0.75 CNR2 (0.60) EPHX2
SCHEMBL13753076 0.74 CNR2 (0.48) EPHX2
SCHEMBL19524976 0.72 ITGA4 (0.46) P2RX7
SCHEMBL7571850 0.72 P2RX7 (0.74) P2RX7
SCHEMBL3745042 0.71 P2RX7 (0.48) P2RX7EPHX2

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