SCHEMBL7658415

SCHEMBL7658415

O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(C(=O)C2CCN(C(=O)O)CC2)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 0.61
AVPR1A P37288 1/20 0.58

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
SCHEMBL7659100 0.86 P2RX7 (0.72) P2RX7AVPR1A
SCHEMBL4877418 0.82 P2RX7 (0.83) P2RX7AVPR1A
SCHEMBL7661718 0.81 P2RX7 (0.59) P2RX7
SCHEMBL7660566 0.81 P2RX7 (0.64) P2RX7AVPR1A
SCHEMBL7656549 0.79 P2RX7 (0.56) P2RX7AVPR1A
SCHEMBL7669003 0.78 AVPR1A (0.74) P2RX7AVPR1A
SCHEMBL7659013 0.78 P2RX7 (0.59) P2RX7AVPR1A
SCHEMBL4877567 0.76 P2RX7 (1.00) P2RX7AVPR1A
SCHEMBL7571588 0.76 P2RX7 (1.00) P2RX7
SCHEMBL7569495 0.76 P2RX7 (0.85) 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 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