SCHEMBL7669012

SCHEMBL7669012

CCc1ccc(CN2CCNCC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 18/20 0.77
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL7665408 0.89 P2RX7 (0.78) P2RX7MEN1ALDH1A1KMT2A
SCHEMBL7660339 0.87 P2RX7 (0.78) P2RX7
SCHEMBL7663299 0.87 P2RX7 (1.00) P2RX7
SCHEMBL7657585 0.83 P2RX7 (0.93) P2RX7
SCHEMBL7559417 0.77 P2RX7 (0.82) P2RX7
SCHEMBL7660243 0.77 P2RX7 (0.82) P2RX7
Hydrochloric Acid SCHEMBL7659490 0.77 P2RX7 (0.80) P2RX7
SCHEMBL7557040 0.75 P2RX7 (0.78) P2RX7
SCHEMBL7668387 0.75 P2RX7 (0.78) P2RX7
SCHEMBL7663347 0.74 P2RX7 (0.77) 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 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