SCHEMBL25958882

SCHEMBL25958882

CC(C)(C)OC(=O)[C@@H](Cc1cccc(Nc2cc(C[C@H](C(=O)OC(C)(C)C)[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c2)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 3/20 0.46
▸ USP30 Q70CQ3 1/20 0.46
▸ GPR119 Q8TDV5 4/20 0.44
▸ UBE2M P61081 1/20 0.41
▸ DCUN1D1 Q96GG9 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ TGFBR1 P36897 1/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ RHOA P61586 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ STS P08842 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 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
SCHEMBL31291136 1.00 TACR1 (0.46) TACR1USP30GPR119UBE2MDCUN1D1
SCHEMBL30543872 0.95 TACR1 (0.43) TACR1USP30GPR119UBE2MDCUN1D1
SCHEMBL23761152 0.91 USP30 (0.50) USP30GPR119TGFBR1JAK2JAK1
SCHEMBL22750409 0.90 USP30 (0.51) USP30GPR119TGFBR1JAK2JAK1
SCHEMBL23751518 0.90 USP30 (0.51) USP30GPR119TGFBR1JAK2JAK1
SCHEMBL25958877 0.90 TACR1 (0.39) TACR1USP30GPR119UBE2MDCUN1D1
SCHEMBL31599008 0.88 USP30 (0.47) USP30GPR119JAK2JAK1MAPT
SCHEMBL30543854 0.85 USP30 (0.56) USP30GPR119EPHX2TGFBR1JAK2
SCHEMBL31599077 0.85 USP30 (0.56) USP30GPR119EPHX2TGFBR1JAK2
SCHEMBL25957771 0.85 USP30 (0.56) USP30GPR119EPHX2TGFBR1JAK2

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
WO-2023146785-A1 PYRROLIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2023-08-03 — — WO disclosed
Send feedback