SCHEMBL3720035

SCHEMBL3720035

CC(F)(F)c1coc(Cn2ncc(C(N)=O)n2)n1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 17/20 0.49
KMT2A Q03164 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31

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
SCHEMBL9901600 0.89 FPR2 (0.51) FPR2
SCHEMBL2328554 0.80 FPR2 (0.50) FPR2
SCHEMBL3717210 0.79 PTGER1 (0.33) FPR2KMT2A
SCHEMBL1704162 0.76 FPR2 (0.46) FPR2
SCHEMBL9902082 0.74 FPR2 (0.47) FPR2
SCHEMBL3721159 0.72 KLKB1 (0.34) FPR2KMT2ACACNA1H
SCHEMBL9901605 0.71 FPR2 (0.49) FPR2
SCHEMBL30281161 0.69 KMT2A (0.38) KMT2A
SCHEMBL2331495 0.67 KMT2A (0.32) KMT2A
SCHEMBL9900160 0.67 FPR2 (0.37) FPR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440555-B1 FLUORINATED AMINOTRIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-05-18 EP claimed
US-8580831-B2 Fluorinated aminotriazole derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US claimed
WO-2010143116-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-16 WO claimed
EP-2440555-B1 FLUORINATED AMINOTRIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-05-18 EP disclosed
US-8580831-B2 Fluorinated aminotriazole derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
WO-2010143116-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-16 WO disclosed