SCHEMBL7553271

SCHEMBL7553271

O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CCN2CCNCC2CO)ccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 18/20 0.67
AVPR1A P37288 1/20 0.53

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
SCHEMBL7559417 0.86 P2RX7 (0.82) P2RX7
Hydrochloric Acid SCHEMBL7659490 0.86 P2RX7 (0.80) P2RX7
SCHEMBL7663299 0.81 P2RX7 (1.00) P2RX7
SCHEMBL5336494 0.79 P2RX7 (0.78) P2RX7
SCHEMBL7665305 0.79 P2RX7 (0.83) P2RX7AVPR1A
SCHEMBL7657585 0.78 P2RX7 (0.93) P2RX7AVPR1A
SCHEMBL4129123 0.77 P2RX7 (0.86) P2RX7
SCHEMBL7669003 0.77 AVPR1A (0.74) P2RX7AVPR1A
SCHEMBL7660351 0.77 P2RX7 (0.67) P2RX7
SCHEMBL7656374 0.77 P2RX7 (1.00) 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 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