SCHEMBL28845872

SCHEMBL28845872

[CH2][CH]C(F)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.38
F2 P00734 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
SRC P12931 1/20 0.33
LMNA P02545 2/20 0.32
HRH1 P35367 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
GRM7 Q14831 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL3322544 0.79 TSHR (0.38) DPP4F2TSHRHTR2ATAAR1
SCHEMBL13388150 0.77 CYP2C19 (0.36) DPP4F2TSHRHTR2ATAAR1
SCHEMBL16924879 0.76 DPP4 (0.39) DPP4F2TSHRHTR2ATAAR1
SCHEMBL20765676 0.74 CYP2D6 (0.44) DPP4F2TSHRCYP2D6SRC
SCHEMBL3949902 0.74 DPP4 (0.38) DPP4F2TSHRHTR2ATAAR1
SCHEMBL874358 0.74 CYP2D6 (0.44) DPP4F2TSHRCYP2D6SRC
SCHEMBL11782888 0.74 DPP4 (0.38) DPP4F2TSHRHTR2ATAAR1
SCHEMBL3245737 0.72 CYP1A2 (0.36) DPP4F2TSHRHTR2ATAAR1
SCHEMBL7793933 0.72 CYP2D6 (0.37) DPP4F2TSHRHTR2ATAAR1
SCHEMBL7621141 0.70 MEN1 (0.37) DPP4F2TSHRHTR2ATAAR1

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-104478735-B The imaging of central nervous system disease, diagnosis and/or treatment compound 皮拉马影像股份公司 2017-05-31 CN disclosed