SCHEMBL30151160

SCHEMBL30151160

O=C(O)CCc1cc(OC(F)(F)F)ccc1F

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 16/20 0.60
FFAR1 O14842 12/20 0.56
CYP2C9 P11712 2/20 0.53
CACNA1C Q13936 1/20 0.53
POLB P06746 1/20 0.47
ALKBH1 Q13686 1/20 0.46
SCN5A Q14524 1/20 0.45
TRPV1 Q8NER1 1/20 0.45

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
SCHEMBL18528800 0.89 FFAR4 (0.54) FFAR4FFAR1CYP2C9CACNA1CPOLB
SCHEMBL1561518 0.84 FFAR4 (0.51) FFAR4FFAR1CYP2C9CACNA1CALKBH1
SCHEMBL30343673 0.81 POLB (0.69) FFAR4FFAR1POLB
SCHEMBL20472384 0.81 TRPV1 (0.57) FFAR4FFAR1TRPV1
SCHEMBL1561427 0.81 FFAR4 (0.46) FFAR4FFAR1CYP2C9CACNA1CALKBH1
SCHEMBL6902374 0.79 ELANE (0.47) FFAR4FFAR1CYP2C9CACNA1CPOLB
SCHEMBL20472377 0.79 TAAR1 (0.47) FFAR4FFAR1ALKBH1TRPV1
SCHEMBL513139 0.78 FFAR4 (0.48) FFAR4FFAR1CYP2C9CACNA1CSCN5A
SCHEMBL30698114 0.78 FFAR4 (0.48) FFAR4FFAR1CYP2C9CACNA1CSCN5A
SCHEMBL30584101 0.78 FFAR4 (0.45) FFAR4FFAR1CYP2C9CACNA1CALKBH1

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
CN-115551846-B 1,4,5, 6-tetrahydropyrimidin-2-amine derivatives UBE株式会社 2024-03-08 CN claimed
WO-2023085396-A1 PHARMACEUTICAL COMPOSITION FOR PROVIDING TREATMENT FOR OR PREVENTING ALPORT SYNDROME UBE株式会社 2023-05-19 WO claimed
CN-115551846-A 1,4,5,6-tetrahydropyrimidin-2-amine derivatives UBE株式会社 2022-12-30 CN claimed
CN-115551846-B 1,4,5, 6-tetrahydropyrimidin-2-amine derivatives UBE株式会社 2024-03-08 CN disclosed
WO-2023085396-A1 PHARMACEUTICAL COMPOSITION FOR PROVIDING TREATMENT FOR OR PREVENTING ALPORT SYNDROME UBE株式会社 2023-05-19 WO disclosed
CN-115551846-A 1,4,5,6-tetrahydropyrimidin-2-amine derivatives UBE株式会社 2022-12-30 CN disclosed