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SCHEMBL7555599

SCHEMBL7555599

NC1CCC(Oc2ccc(C(=O)NC[C]3CCCCCCC3)c(Cl)c2)C1.[CH2].[CH2]

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.42
▸ BCL2A1 Q16548 8/20 0.42
▸ P2RX7 Q99572 4/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ROCK1 Q13464 2/20 0.38
▸ BID P55957 1/20 0.35

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
SCHEMBL7515669 0.85 P2RX7 (0.48) HRH3P2RX7
SCHEMBL7556147 0.83 P2RX7 (0.52) HRH3P2RX7NPC1RAB9APOLB
SCHEMBL7660485 0.79 P2RX7 (0.62) P2RX7
SCHEMBL7660490 0.79 P2RX7 (0.62) P2RX7
SCHEMBL5398913 0.75 P2RX7 (0.63) HRH3P2RX7
SCHEMBL7518675 0.74 ESRRB (0.49) P2RX7NPC1RAB9APOLBHPGD
SCHEMBL21434774 0.73 KDM4E (0.55) HRH3P2RX7NPC1RAB9AHPGD
SCHEMBL7559238 0.73 HPGD (0.46) P2RX7NPC1RAB9APOLBHPGD
SCHEMBL7560739 0.70 P2RX7 (0.55) P2RX7POLBHPGD
SCHEMBL7592357 0.70 HPGD (0.54) P2RX7NPC1RAB9APOLBHPGD

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
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