SCHEMBL7558729

SCHEMBL7558729

O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(OCCOCCN2CCNCC2)ccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 18/20 0.65
AVPR1A P37288 1/20 0.49

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
SCHEMBL7515651 0.95 P2RX7 (0.69) P2RX7AVPR1A
SCHEMBL6571450 0.84 P2RX7 (0.69) P2RX7
SCHEMBL7556686 0.82 P2RX7 (0.78) P2RX7AVPR1A
SCHEMBL7559323 0.81 P2RX7 (0.73) P2RX7AVPR1A
SCHEMBL6572116 0.81 P2RX7 (0.76) P2RX7
SCHEMBL7559417 0.81 P2RX7 (0.82) P2RX7
SCHEMBL5080700 0.80 P2RX7 (0.63) P2RX7
SCHEMBL6571527 0.80 P2RX7 (0.74) P2RX7
Hydrochloric Acid SCHEMBL7659490 0.80 P2RX7 (0.80) P2RX7
Hydrochloric Acid SCHEMBL6573145 0.80 P2RX7 (0.62) 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 4 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
EP-1171432-A1 ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2002-01-16 EP disclosed
WO-2000061569-A1 ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2000-10-19 WO disclosed