SCHEMBL5740460

SCHEMBL5740460

Nc1nc(Nc2ccc3nc(-c4ccc(F)cc4)cc(N)c3c2)cc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.50
AGPAT2 O15120 3/20 0.47
KDM4E B2RXH2 1/20 0.45
ROCK2 O75116 4/20 0.44
ACP1 P24666 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
DOT1L Q8TEK3 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ACHE P22303 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL5740529 0.96 MCHR1 (0.53) MCHR1AGPAT2ROCK2ACP1TRPV1
SCHEMBL5740849 0.91 MCHR1 (0.51) MCHR1AGPAT2KDM4EROCK2ACP1
SCHEMBL5742330 0.91 MCHR1 (0.51) MCHR1AGPAT2KDM4EROCK2ACP1
SCHEMBL5742875 0.91 AGPAT2 (0.57) MCHR1AGPAT2KDM4EROCK2ACP1
SCHEMBL5741991 0.91 AGPAT2 (0.57) MCHR1AGPAT2KDM4EROCK2ACP1
SCHEMBL5740176 0.89 AGPAT2 (0.56) MCHR1AGPAT2ROCK2ACP1DOT1L
SCHEMBL5742700 0.89 MCHR1 (0.52) MCHR1AGPAT2ROCK2ACP1TRPV1
SCHEMBL5743755 0.88 KDM4E (0.55) MCHR1AGPAT2KDM4EROCK2ACP1
SCHEMBL5741808 0.88 MCHR1 (0.50) MCHR1AGPAT2KDM4EROCK2ACP1
SCHEMBL5741794 0.88 MCHR1 (0.50) MCHR1AGPAT2KDM4EROCK2ACP1

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