SCHEMBL7578023

SCHEMBL7578023

CSc1ncccc1OC(=O)NCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
EPHX2 P34913 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL7572957 0.86 RAB9A (0.48) P2RX7MEN1KMT2AALDH1A1KDM4E
SCHEMBL7571514 0.85 ALDH1A1 (0.51) P2RX7MEN1KMT2AALDH1A1KDM4E
SCHEMBL7576813 0.83 MEN1 (0.48) P2RX7MEN1KMT2AALDH1A1KDM4E
SCHEMBL7572642 0.83 P2RX7 (0.43) P2RX7MEN1KMT2AALDH1A1KDM4E
SCHEMBL7570515 0.82 P2RX7 (0.47) P2RX7MEN1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7570206 0.81 P2RX7 (0.48) P2RX7MEN1KMT2AALDH1A1KDM4E
SCHEMBL7572059 0.81 P2RX7 (0.60) P2RX7MEN1KMT2AALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL7577511 0.80 P2RX7 (0.41) P2RX7MEN1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7572364 0.79 MAPT (0.47) P2RX7MEN1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7576937 0.78 P2RX7 (0.47) P2RX7MEN1KMT2AALDH1A1KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036059-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2002-09-18 EP claimed