SCHEMBL7572585

SCHEMBL7572585

CSc1ccccc1C(=O)NCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.70
KMT2A Q03164 3/20 0.54
GAA P10253 2/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.52
HSD17B10 Q99714 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
SCHEMBL7573037 0.89 P2RX7 (0.69) P2RX7KMT2AMEN1ALDH1A1
SCHEMBL7568709 0.82 P2RX7 (1.00) P2RX7KMT2AMEN1ALDH1A1
SCHEMBL7570510 0.82 P2RX7 (0.60) P2RX7KMT2AGAAMEN1ALDH1A1
SCHEMBL7572613 0.81 P2RX7 (0.72) P2RX7KMT2AMEN1ALDH1A1HPGD
SCHEMBL8381564 0.81 P2RX7 (0.72) P2RX7
SCHEMBL7572059 0.80 P2RX7 (0.60) P2RX7KMT2AMEN1ALDH1A1HPGD
SCHEMBL7570179 0.80 HPGD (0.58) P2RX7KMT2AGAAMEN1ALDH1A1
SCHEMBL14160432 0.80 P2RX7 (0.71) P2RX7
SCHEMBL7570190 0.80 P2RX7 (1.00) P2RX7
SCHEMBL7571529 0.80 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