SCHEMBL7571850

SCHEMBL7571850

COc1cccc(OC)c1C(=O)NCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.74
HDAC11 Q96DB2 1/20 0.59
CNR2 P34972 2/20 0.53
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
FAAH O00519 1/20 0.50

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
SCHEMBL6084569 0.85 P2RX7 (1.00) P2RX7HDAC11CNR2KMT2AMEN1
SCHEMBL21769576 0.80 P2RX7 (0.63) P2RX7HDAC11KMT2AMEN1
SCHEMBL7571956 0.79 P2RX7 (1.00) P2RX7
SCHEMBL7571999 0.79 P2RX7 (0.70) P2RX7
SCHEMBL21769577 0.76 P2RX7 (0.63) P2RX7HDAC11KMT2AMEN1
SCHEMBL5583683 0.75 P2RX7 (0.59) P2RX7HDAC11CNR2KMT2AMEN1
SCHEMBL30925378 0.74 HDAC11 (1.00) P2RX7HDAC11ALDH1A1
SCHEMBL7570486 0.74 P2RX7 (0.64) P2RX7HDAC11KMT2AMEN1ALDH1A1
SCHEMBL3454922 0.74 P2RX7 (1.00) P2RX7FAAH
SCHEMBL7571057 0.74 P2RX7 (1.00) 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