SCHEMBL7659004

SCHEMBL7659004

O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(/C=C2/C=NCCC2)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 0.58
AVPR1A P37288 1/20 0.48

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
SCHEMBL7659012 1.00 P2RX7 (0.58) P2RX7AVPR1A
SCHEMBL4129731 0.79 P2RX7 (0.73) P2RX7
SCHEMBL7659293 0.79 P2RX7 (0.67) P2RX7AVPR1A
SCHEMBL5549854 0.78 P2RX7 (0.72) P2RX7
SCHEMBL7559312 0.77 P2RX7 (0.58) P2RX7AVPR1A
SCHEMBL7559303 0.77 P2RX7 (0.58) P2RX7AVPR1A
SCHEMBL7659013 0.76 P2RX7 (0.59) P2RX7AVPR1A
SCHEMBL4133507 0.76 P2RX7 (0.67) P2RX7
SCHEMBL4133510 0.76 P2RX7 (0.67) P2RX7
SCHEMBL4130035 0.75 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492355-B1 Adamantane derivatives ASTRAZENECA AB (SE) 2002-12-10 US disclosed