SCHEMBL28409540

SCHEMBL28409540

C=C(NC1CC1C(=O)c1cc(F)c(Cl)cc1Cl)C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ABCB1 P08183 1/20 0.32
CASP1 P29466 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
GPR35 Q9HC97 3/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TLR4 O00206 1/20 0.31

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
SCHEMBL28263597 0.84 CRBN (0.35) GAACYP1A2CYP2C19LMNAMAPT
SCHEMBL27546498 0.81 TAS1R3 (0.34) GAASMN1; SMN2ABCB1CASP1TAS1R3
SCHEMBL9853303 0.75 HPGD (0.38) GAAHPGDCYP1A2CYP2C19SMN1; SMN2
SCHEMBL5256946 0.72 GAA (0.38) GAAHPGDCYP1A2CYP2C19SMN1; SMN2
SCHEMBL9627791 0.71 MAPT (0.36) GAAHPGDCYP1A2CYP2C19SMN1; SMN2
SCHEMBL28811550 0.70 HSD11B1 (0.39) GAAHPGDCYP1A2CYP2C19SMN1; SMN2
SCHEMBL8335693 0.69 CYP4F2 (0.53) GAAHPGDCYP1A2CYP2C19SMN1; SMN2
SCHEMBL14111349 0.68 MAPT (0.42) GAAHPGDCYP1A2CYP2C19SMN1; SMN2
SCHEMBL4714980 0.68 TDP1 (0.42) GAAHPGDCYP1A2CYP2C19SMN1; SMN2
SCHEMBL9562462 0.67 GAA (0.42) GAAHPGDCYP1A2CYP2C19SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111269131-B Process for preparing cyclopropyl ethyl amide by taking tri-n-propylamine as acid acceptor 江苏飞宇医药科技股份有限公司 2021-12-28 CN disclosed
CN-111269131-A Process for preparing cyclopropyl ethyl amide by taking tri-n-propylamine as acid acceptor 常州飞宇化工有限公司 2020-06-12 CN disclosed