SCHEMBL5743006

SCHEMBL5743006

CCCCc1ccc(-c2cc(Nc3ccc4nc(-c5ccc(C(F)(F)F)cc5)cc(N)c4c3)nc(N)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.58
AGPAT2 O15120 1/20 0.44
ACP1 P24666 2/20 0.41
EIF4A1 P60842 1/20 0.41
TLR8 Q9NR97 1/20 0.40

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
SCHEMBL5742169 0.90 MCHR1 (0.44) MCHR1AGPAT2ACP1EIF4A1TLR8
SCHEMBL5740529 0.89 MCHR1 (0.53) MCHR1AGPAT2ACP1
SCHEMBL5743256 0.88 MCHR1 (0.59) MCHR1AGPAT2TLR8
SCHEMBL5742308 0.88 AGPAT2 (0.53) MCHR1AGPAT2EIF4A1TLR8
SCHEMBL5740460 0.85 MCHR1 (0.50) MCHR1AGPAT2ACP1
SCHEMBL5742875 0.84 AGPAT2 (0.57) MCHR1AGPAT2ACP1
SCHEMBL5741991 0.84 AGPAT2 (0.57) MCHR1AGPAT2ACP1
SCHEMBL5741057 0.83 ACP1 (0.57) MCHR1AGPAT2ACP1
SCHEMBL5742713 0.83 DOT1L (0.56) MCHR1AGPAT2
SCHEMBL5742057 0.83 MCHR1 (0.42) MCHR1AGPAT2EIF4A1TLR8

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