SCHEMBL29069971

SCHEMBL29069971

C[C@H]1CC(N(C)Cc2cccc(C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
GPR119 Q8TDV5 1/20 0.42
TACR1 P25103 2/20 0.41
CETP P11597 6/20 0.41
AGTR2 P50052 2/20 0.41
UBE2M P61081 3/20 0.40
DCUN1D1 Q96GG9 3/20 0.40
GHSR Q92847 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 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
SCHEMBL29069970 1.00 JAK2 (0.48) JAK2JAK1GPR119TACR1CETP
SCHEMBL20920379 1.00 JAK2 (0.48) JAK2JAK1GPR119TACR1CETP
SCHEMBL25487544 0.88 JAK2 (0.49) JAK2JAK1GPR119TACR1AGTR2
SCHEMBL29069990 0.87 AGTR2 (0.46) TACR1AGTR2UBE2MDCUN1D1ALDH1A1
SCHEMBL20567316 0.87 AGTR2 (0.46) TACR1AGTR2UBE2MDCUN1D1ALDH1A1
SCHEMBL29069991 0.87 AGTR2 (0.46) TACR1AGTR2UBE2MDCUN1D1ALDH1A1
SCHEMBL20566782 0.87 AGTR2 (0.46) TACR1AGTR2UBE2MDCUN1D1MEN1
SCHEMBL20920388 0.81 MGLL (0.42) JAK2JAK1GPR119SMN1; SMN2
SCHEMBL30218719 0.81 MGLL (0.42) JAK2JAK1GPR119SMN1; SMN2
SCHEMBL20567033 0.77 MGLL (0.62) TACR1AGTR2UBE2MDCUN1D1

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-116473965-A Pyrazole MAGL inhibitors H.隆德贝克有限公司 2023-07-25 CN disclosed
CN-110678456-B Pyrazole MAGL inhibitors H.隆德贝克有限公司 2023-05-02 CN disclosed