SCHEMBL7666336

SCHEMBL7666336

O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(S(=O)(=O)C2CCNCC2)ccc1Cl

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 18/20 0.69
AVPR1A P37288 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
SCHEMBL7661775 0.88 P2RX7 (0.69) P2RX7AVPR1A
SCHEMBL7660333 0.82 P2RX7 (1.00) P2RX7
SCHEMBL7659100 0.81 P2RX7 (0.72) P2RX7AVPR1A
SCHEMBL5080702 0.79 P2RX7 (0.67) P2RX7AVPR1A
SCHEMBL7655909 0.79 P2RX7 (0.71) P2RX7AVPR1A
SCHEMBL7663447 0.79 P2RX7 (0.70) P2RX7AVPR1A
SCHEMBL5077430 0.79 P2RX7 (1.00) P2RX7AVPR1A
SCHEMBL7668991 0.78 P2RX7 (0.68) P2RX7
SCHEMBL7665315 0.78 P2RX7 (0.75) P2RX7
SCHEMBL7559323 0.78 P2RX7 (0.73) P2RX7AVPR1A

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