SCHEMBL2011663

SCHEMBL2011663

C[C@@H](C(=O)O)N(F)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
TBXAS1 P24557 2/20 0.41
GAA P10253 3/20 0.41
KCNA5 P22460 2/20 0.41
ALDH1A1 P00352 1/20 0.41
APP P05067 1/20 0.41
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLQ O75417 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.38
ADAMTS4 O75173 1/20 0.38

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
SCHEMBL2011662 1.00 HTT (0.42) HTTAKR1C3AKR1C2TBXAS1GAA
SCHEMBL16585493 0.82 HTT (0.43) HTTAKR1C3AKR1C2TBXAS1GAA
SCHEMBL16585492 0.82 HTT (0.43) HTTAKR1C3AKR1C2TBXAS1GAA
SCHEMBL1114486 0.81 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL23630588 0.81 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL16876656 0.81 HTT (0.42) HTTAKR1C3AKR1C2TBXAS1GAA
SCHEMBL30895153 0.81 HTT (0.42) HTTAKR1C3AKR1C2TBXAS1GAA
SCHEMBL7769274 0.79 HTT (0.44) HTTAKR1C3AKR1C2TBXAS1GAA
SCHEMBL7754416 0.78 F7 (0.45) HTTAKR1C3AKR1C2TBXAS1GAA
SCHEMBL4960058 0.74 NOTUM (0.44) HTTAKR1C3AKR1C2TBXAS1GAA

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
US-7960349-B2 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 US disclosed