SCHEMBL5741907

SCHEMBL5741907

CCCCCc1cc(N)c2cc(Nc3cc(-c4cccc(F)c4)nc(N)n3)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.44
TLR8 Q9NR97 2/20 0.43
AGPAT2 O15120 2/20 0.41
PDPK1 O15530 1/20 0.39
TERT O14746 1/20 0.39
ADORA2A P29274 1/20 0.38
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
SCHEMBL5743044 0.85 AGPAT2 (0.50) MCHR1AGPAT2PDPK1TERTADORA2A
SCHEMBL5742405 0.84 DOT1L (0.56) AGPAT2TERTDOT1L
SCHEMBL5743256 0.84 MCHR1 (0.59) MCHR1TLR8AGPAT2
SCHEMBL5740131 0.83 AGPAT2 (0.54) MCHR1AGPAT2PDPK1TERTADORA2A
SCHEMBL5742344 0.82 MCHR1 (0.44) MCHR1TLR8AGPAT2PDPK1TERT
SCHEMBL5740235 0.82 MCHR1 (0.44) MCHR1TLR8AGPAT2PDPK1TERT
SCHEMBL5743344 0.80 AGPAT2 (0.53) AGPAT2PDPK1ADORA2A
SCHEMBL5741974 0.80 AGPAT2 (0.53) AGPAT2PDPK1ADORA2A
SCHEMBL5741121 0.80 ABCG2 (0.47) AGPAT2ADORA2A
SCHEMBL5743139 0.79 AGPAT2 (0.60) AGPAT2PDPK1

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