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SCHEMBL5741006

SCHEMBL5741006

CCCOCc1cc(Nc2ccc3nc(-c4cccc(Cl)c4)cc(N)c3c2)nc(N)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AGPAT2 O15120 5/20 0.42
▸ MCHR1 Q99705 3/20 0.41
▸ ACP1 P24666 3/20 0.39
▸ HRH4 Q9H3N8 1/20 0.38
▸ PDE4B Q07343 2/20 0.38
▸ DOT1L Q8TEK3 1/20 0.37
▸ OPRL1 P41146 2/20 0.36
▸ TERT O14746 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36

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
SCHEMBL5743466 0.88 AGPAT2 (0.42) AGPAT2MCHR1ACP1HRH4PDE4B
SCHEMBL5740235 0.88 MCHR1 (0.44) AGPAT2MCHR1ACP1HRH4PDE4B
SCHEMBL5744008 0.87 MCHR1 (0.41) MCHR1
SCHEMBL5743245 0.87 AGPAT2 (0.45) AGPAT2ACP1HRH4OPRL1
SCHEMBL5742792 0.84 AGPAT2 (0.59) AGPAT2ACP1HRH4DOT1LTERT
SCHEMBL5742859 0.82 AGPAT2 (0.63) AGPAT2ACP1HRH4MAP4K4
SCHEMBL5742786 0.80 AGPAT2 (0.64) AGPAT2ACP1HRH4MAP4K4
SCHEMBL5742888 0.80 AGPAT2 (0.64) AGPAT2ACP1HRH4MAP4K4
SCHEMBL5740501 0.79 AGPAT2 (0.52) AGPAT2ACP1HRH4
SCHEMBL5743773 0.79 AGPAT2 (0.52) AGPAT2ACP1HRH4

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
EP-1339706-B1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2006-04-19 — — EP disclosed