SCHEMBL31661855

SCHEMBL31661855

C=CC(=O)NC(C)c1ccc(F)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.46
ADRB1 P08588 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRB3 P13945 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CYP2C19 P33261 1/20 0.42
TSHR P16473 1/20 0.41
KCNQ2 O43526 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTT P42858 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPR139 Q6DWJ6 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL28329790 0.86 ACACB (0.49) ACACBADRB1ADRB3CYP2C19TSHR
SCHEMBL31661970 0.82 ACACB (0.46) ACACBCYP2C19SMN1; SMN2
SCHEMBL22723318 0.81 ADRB1 (0.47) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL20188222 0.81 ADRB1 (0.47) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL30230775 0.78 ACACB (0.56) ACACBCYP2C19TSHRHTTALDH1A1
SCHEMBL27622736 0.78 ACACB (0.56) ACACBCYP2C19TSHRHTTALDH1A1
SCHEMBL31662047 0.78 ADRB1 (0.48) ACACBADRB1ADRA2AADRB3ADRA2B
SCHEMBL8445691 0.76 ACACB (0.55) ACACBCYP2C19TSHRMEN1KMT2A
SCHEMBL5406850 0.74 ACACB (0.56) ACACBCYP2C19TSHRALDH1A1TDP1
SCHEMBL20201946 0.74 TRPA1 (0.43) ADRB1ADRA2AADRB3ADRA2BADRA2C

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
WO-2025149629-A1 NOVEL CARBOXAMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2025-07-17 WO disclosed