SCHEMBL7571523

SCHEMBL7571523

O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 18/20 1.00
POLB P06746 1/20 0.56
THRB P10828 1/20 0.56
RECQL P46063 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL7571588 0.89 P2RX7 (1.00) P2RX7
SCHEMBL7656222 0.88 P2RX7 (0.81) P2RX7
SCHEMBL7660207 0.87 P2RX7 (0.77) P2RX7
SCHEMBL7571529 0.83 P2RX7 (1.00) P2RX7
SCHEMBL7571526 0.83 P2RX7 (0.70) P2RX7
SCHEMBL6574267 0.80 P2RX7 (1.00) P2RX7
SCHEMBL7660582 0.79 P2RX7 (0.84) P2RX7
SCHEMBL4881070 0.79 P2RX7 (0.79) P2RX7
SCHEMBL4130035 0.79 P2RX7 (0.77) P2RX7
SCHEMBL4129828 0.79 P2RX7 (0.77) 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