SCHEMBL7569576

SCHEMBL7569576

O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(Cl)cc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 1.00
CA2 P00918 1/20 0.56
EPHX2 P34913 1/20 0.53
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 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
SCHEMBL7570202 0.86 P2RX7 (1.00) P2RX7CA2
SCHEMBL2881946 0.80 P2RX7 (0.65) P2RX7
SCHEMBL7570486 0.78 P2RX7 (0.64) P2RX7CA2MEN1ALDH1A1KMT2A
SCHEMBL3454922 0.78 P2RX7 (1.00) P2RX7CA2EPHX2
SCHEMBL7571588 0.77 P2RX7 (1.00) P2RX7
SCHEMBL7571523 0.77 P2RX7 (1.00) P2RX7
SCHEMBL17483924 0.77 P2RX7 (0.75) P2RX7CA2EPHX2
SCHEMBL14764889 0.76 P2RX7 (0.73) P2RX7CA2EPHX2MEN1KMT2A
SCHEMBL4879622 0.76 P2RX7 (0.73) P2RX7CA2EPHX2
SCHEMBL19321961 0.75 P2RX7 (0.63) P2RX7CA2EPHX2MEN1ALDH1A1

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