SCHEMBL28979080

SCHEMBL28979080

O=CN1CCN(Cc2ccccc2)C1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.42
S1PR5 Q9H228 2/20 0.40
S1PR1 P21453 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA9 Q16790 2/20 0.39
AGTR2 P50052 1/20 0.39
GBA1 P04062 1/20 0.38
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
POLB P06746 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 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
SCHEMBL1917883 0.78 GRM6 (0.43) GRM6S1PR5S1PR1POLBSIGMAR1
SCHEMBL25195472 0.75 GRM6 (0.49) GRM6S1PR5S1PR1GBA1TP53
SCHEMBL28112011 0.72 ACHE (0.39) CA1CA2CA4CA9
SCHEMBL27840206 0.72 SIGMAR1 (0.47) GBA1TP53MDM2SIGMAR1CYP2C19
SCHEMBL28126702 0.71 TP53 (0.41) CA1CA2CA4CA9TP53
SCHEMBL8409861 0.71 AGTR2 (0.61) GRM6S1PR5S1PR1AGTR2SIGMAR1
SCHEMBL2864891 0.71 AGTR2 (0.61) GRM6S1PR5S1PR1AGTR2SIGMAR1
SCHEMBL8343227 0.71 AGTR2 (0.61) GRM6S1PR5S1PR1AGTR2SIGMAR1
SCHEMBL8408488 0.70 GBA1 (0.48) GBA1POLBSIGMAR1CYP2D6CYP2C9
SCHEMBL28845589 0.70 GBA1 (0.48) GRM6S1PR5S1PR1GBA1TP53

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-110475765-B Preparation method of amide compound 广荣化学株式会社 2023-04-07 CN disclosed
CN-110475765-A The preparation method of amides compound KOEI CHEMICAL CO 2019-11-19 CN disclosed