SCHEMBL28328459

SCHEMBL28328459

OB(O)Oc1cc(OC(F)(F)F)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.40
FFAR1 O14842 2/20 0.40
SCN5A Q14524 2/20 0.40
CYP2C9 P11712 1/20 0.40
GPR3 P46089 1/20 0.40
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
CYP3A4 P08684 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1C Q13936 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SCN9A Q15858 1/20 0.36
GRIN2B Q13224 1/20 0.35
NOTUM Q6P988 1/20 0.35
MAPT P10636 1/20 0.35
EPHX2 P34913 1/20 0.35
KIF11 P52732 1/20 0.35

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
SCHEMBL28080378 0.79 CA1 (0.45) CYP3A4KCNH2TDP1MAPT
SCHEMBL30916838 0.78 CA12 (0.46) FFAR4CYP2C9GPR3
SCHEMBL29554405 0.77 FFAR4 (0.41) FFAR4FFAR1SCN5ACYP2C9GPR3
SCHEMBL3993839 0.77 FFAR4 (0.41) FFAR4FFAR1SCN5ACYP2C9GPR3
SCHEMBL14237634 0.77 GPR3 (0.41) FFAR4FFAR1SCN5ACYP2C9GPR3
SCHEMBL27705367 0.77 PDE2A (0.41) CYP2C9MRGPRX4CYP3A4KCNH2MAPT
SCHEMBL28128499 0.76 GPR3 (0.44) FFAR4FFAR1SCN5AGPR3
SCHEMBL29177450 0.76 FFAR4 (0.43) FFAR4FFAR1SCN5ACYP2C9AKR1C2
SCHEMBL29894167 0.75 GPR3 (0.48) FFAR4FFAR1SCN5ACYP2C9GPR3
SCHEMBL8065084 0.75 GPR3 (0.48) FFAR4FFAR1SCN5ACYP2C9GPR3

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
CN-110337295-A Compounds and methods of their use 普拉克西斯精密药物股份有限公司 2019-10-15 CN disclosed