SCHEMBL8104780

SCHEMBL8104780

COc1ccc(C)c(C2C3CC4CC(C3)CC2(ONC(C)=O)C4)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.45
SIGMAR1 Q99720 1/20 0.40
MTNR1A P48039 2/20 0.39
MTNR1B P49286 1/20 0.39
CNR2 P34972 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
FAAH O00519 1/20 0.38
EPHX2 P34913 2/20 0.37
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL8104812 0.87 HSP90AA1 (0.37) P2RX7CNR2MEN1KMT2AFAAH
SCHEMBL8104976 0.85 KDM4E (0.36) P2RX7EPHX2ALDH1A1
SCHEMBL8095608 0.84 KDM4E (0.38) P2RX7MTNR1AMTNR1BMEN1KMT2A
SCHEMBL6937092 0.81 CNR2 (0.37) P2RX7CNR2MEN1KMT2AFAAH
SCHEMBL5805025 0.63 P2RX7 (0.47) P2RX7SIGMAR1CNR2MEN1KMT2A
SCHEMBL6860227 0.62 P2RX7 (1.00) P2RX7
SCHEMBL2968543 0.62 MTNR1A (0.44) P2RX7MTNR1AMTNR1BMEN1KMT2A
SCHEMBL6939824 0.61 P2RX7 (0.71) P2RX7SIGMAR1CNR2MEN1KMT2A
SCHEMBL11783904 0.61 NPC1 (0.49) P2RX7MTNR1AMTNR1BMEN1KMT2A
SCHEMBL6941692 0.60 STS (0.34) P2RX7CNR2MEN1KMT2AEPHX2

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-1036058-A1 ADAMANTANE DERIVATIVES AstraZeneca UK Limited (GB) 2000-09-20 EP disclosed
WO-1999029660-A1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 1999-06-17 WO disclosed