SCHEMBL5740235

SCHEMBL5740235

CCCCCc1cc(Nc2ccc3nc(-c4cccc(Cl)c4)cc(N)c3c2)nc(N)n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.44
AGPAT2 O15120 2/20 0.43
PDE4B Q07343 2/20 0.40
TLR8 Q9NR97 2/20 0.40
ACP1 P24666 3/20 0.40
PDPK1 O15530 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
TERT O14746 1/20 0.39
DOT1L Q8TEK3 1/20 0.38

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
SCHEMBL5742833 0.90 MCHR1 (0.48) MCHR1AGPAT2TLR8TERTDOT1L
SCHEMBL5741006 0.88 AGPAT2 (0.42) MCHR1AGPAT2PDE4BACP1HRH4
SCHEMBL5742792 0.85 AGPAT2 (0.59) AGPAT2ACP1PDPK1HRH4TERT
SCHEMBL5742344 0.84 MCHR1 (0.44) MCHR1AGPAT2TLR8ACP1PDPK1
SCHEMBL5743466 0.84 AGPAT2 (0.42) MCHR1AGPAT2PDE4BACP1HRH4
SCHEMBL5742859 0.83 AGPAT2 (0.63) AGPAT2ACP1PDPK1HRH4
SCHEMBL5743245 0.83 AGPAT2 (0.45) AGPAT2ACP1HRH4
SCHEMBL5741907 0.82 MCHR1 (0.44) MCHR1AGPAT2TLR8PDPK1TERT
SCHEMBL5742786 0.82 AGPAT2 (0.64) AGPAT2ACP1PDPK1HRH4
SCHEMBL5742888 0.82 AGPAT2 (0.64) AGPAT2ACP1PDPK1HRH4

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