SCHEMBL9727483

SCHEMBL9727483

COC(=O)C1CCCN1C(=O)C(C)c1ccc(F)cc1C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
KCNK3 O14649 1/20 0.44
PEPD P12955 3/20 0.43
XPNPEP1 Q9NQW7 2/20 0.43
NPSR1 Q6W5P4 1/20 0.41
FPR2 P25090 1/20 0.41
SCN9A Q15858 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.39
PDK2 Q15119 1/20 0.39
FKBP1A P62942 2/20 0.39

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
SCHEMBL9727520 0.89 PEPD (0.44) GAAPEPDXPNPEP1NPSR1ALDH1A1
SCHEMBL9727251 0.86 ALDH1A1 (0.45) ALDH1A1KMT2AFKBP1A
SCHEMBL9727470 0.79 PEPD (0.43) GAAPEPDXPNPEP1NPSR1ALDH1A1
SCHEMBL9727448 0.78 PEPD (0.49) GAAKCNK3PEPDXPNPEP1NPSR1
SCHEMBL22209512 0.75 CCR1 (0.53) KCNK3
SCHEMBL18621029 0.75 CCR1 (0.53) KCNK3
SCHEMBL11154556 0.72 ACE (0.45) GAAPEPDNPSR1KMT2A
SCHEMBL9727472 0.72 ALDH1A1 (0.47) GAAPEPDALDH1A1PDK2FKBP1A
SCHEMBL20471043 0.72 PEPD (0.54) PEPDXPNPEP1FKBP1A
SCHEMBL13921121 0.72 PEPD (0.54) PEPDXPNPEP1FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5142065-A Intermediates for herbicides, fungicides, miticides and insecticides BAYER AKTIENGESELLSCHAFT (DE) 1992-08-25 US disclosed
US-5091537-A Acylamino acid ester derivatives; insecticide, fungicide, herbicide, acaricide, and antimycotic agent BAYER AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed
US-4985063-A INSECTICIDES, MITICIDES, HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1991-01-15 US disclosed