SCHEMBL5744008

SCHEMBL5744008

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.41
MAPT P10636 6/20 0.39
ABCG2 Q9UNQ0 3/20 0.39
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
THRB P10828 2/20 0.37
LMNA P02545 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL5741006 0.87 AGPAT2 (0.42) MCHR1
SCHEMBL5744121 0.85 MCHR1 (0.51) MCHR1
SCHEMBL5742700 0.81 MCHR1 (0.52) MCHR1MAPTABCG2THRBLMNA
SCHEMBL5744521 0.81 MCHR1 (0.45) MCHR1MAPTABCG2THRBLMNA
SCHEMBL5742346 0.81 MCHR1 (0.45) MCHR1MAPTABCG2THRBLMNA
SCHEMBL5740955 0.80 ACP1 (0.51) MCHR1MAPTABCG2LMNA
SCHEMBL5741862 0.79 AGPAT2 (0.57) MCHR1MAPTABCG2LMNA
SCHEMBL5741949 0.78 TP53 (0.49) MCHR1MAPTABCG2
SCHEMBL5740159 0.77 AGPAT2 (0.47) MCHR1MAPTABCG2THRBLMNA
SCHEMBL5743466 0.75 AGPAT2 (0.42) MCHR1

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