SCHEMBL5742344

SCHEMBL5742344

CCCCCc1cc(Nc2ccc3nc(-c4ccc(F)cc4)cc(N)c3c2)nc(N)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.44
TERT O14746 1/20 0.41
HRH2 P25021 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
DOT1L Q8TEK3 2/20 0.40
TLR8 Q9NR97 1/20 0.38
PDPK1 O15530 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
AGPAT2 O15120 1/20 0.36
ACP1 P24666 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
SCHEMBL5742833 0.90 MCHR1 (0.48) MCHR1TERTHRH2HRH3DOT1L
SCHEMBL5742169 0.88 MCHR1 (0.44) MCHR1TERTDOT1LTLR8LMNA
SCHEMBL5740235 0.84 MCHR1 (0.44) MCHR1TERTDOT1LTLR8PDPK1
SCHEMBL5741907 0.82 MCHR1 (0.44) MCHR1TERTDOT1LTLR8PDPK1
SCHEMBL5743256 0.82 MCHR1 (0.59) MCHR1TLR8AGPAT2
SCHEMBL5740176 0.81 AGPAT2 (0.56) MCHR1TERTDOT1LPDPK1LMNA
SCHEMBL5742672 0.80 AGPAT2 (0.46) TERTDOT1LPDPK1LMNATP53
SCHEMBL5740139 0.80 AGPAT2 (0.60) DOT1LTP53MAPTAGPAT2
SCHEMBL5743457 0.79 ACP1 (0.54) DOT1LTP53MAPTAGPAT2ACP1
SCHEMBL5743755 0.79 KDM4E (0.55) MCHR1TERTDOT1LLMNATP53

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