SCHEMBL7669003

SCHEMBL7669003

O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(C(=O)N2CCNCC2)ccc1Cl

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.74
P2RX7 Q99572 17/20 0.71

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
SCHEMBL29350330 0.96 AVPR1A (0.72) AVPR1AP2RX7
SCHEMBL7659789 0.96 AVPR1A (0.72) AVPR1AP2RX7
SCHEMBL7659100 0.83 P2RX7 (0.72) AVPR1AP2RX7
SCHEMBL7656374 0.83 P2RX7 (1.00) AVPR1AP2RX7
SCHEMBL7663299 0.82 P2RX7 (1.00) P2RX7
SCHEMBL4877418 0.81 P2RX7 (0.83) AVPR1AP2RX7
SCHEMBL7559417 0.80 P2RX7 (0.82) P2RX7
SCHEMBL7656706 0.80 P2RX7 (0.92) AVPR1AP2RX7
Hydrochloric Acid SCHEMBL7659490 0.79 P2RX7 (0.80) P2RX7
SCHEMBL7657585 0.79 P2RX7 (0.93) AVPR1AP2RX7

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