SCHEMBL22720245

SCHEMBL22720245

CC(C)(C)OC(=O)N1CCC2(CC=CC2=C=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ GPR119 Q8TDV5 3/20 0.39
▸ USP30 Q70CQ3 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PTPN2 P17706 1/20 0.36

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
SCHEMBL16914260 0.82 USP30 (0.43) USP2SMN1; SMN2ATMGPR119USP30
SCHEMBL21926666 0.81 USP2 (0.42) USP2SMN1; SMN2ATMGPR119USP30
SCHEMBL29715723 0.78 ATM (0.39) USP2SMN1; SMN2ATMGPR119USP30
SCHEMBL16914261 0.75 USP30 (0.44) USP2SMN1; SMN2ATMUSP30TSHR
SCHEMBL29930058 0.74 USP30 (0.40) USP2SMN1; SMN2ATMGPR119USP30
SCHEMBL21408149 0.74 KDM1A (0.41) USP2SMN1; SMN2GPR119USP30HDAC1
SCHEMBL29347028 0.73 USP30 (0.46) USP2SMN1; SMN2USP30HDAC1HDAC8
SCHEMBL30577842 0.73 CHRM2 (0.35) USP2SMN1; SMN2ATMGPR119USP30
SCHEMBL22799010 0.73 USP2 (0.42) USP2SMN1; SMN2ATMUSP30TSHR
SCHEMBL24089120 0.72 USP2 (0.50) USP2SMN1; SMN2ATMGPR119USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113493440-B Salt of nitrogen-containing heteroaromatic derivative and crystal form thereof 上海翰森生物医药科技有限公司 2024-08-23 — — CN disclosed
CN-115052866-B Crystal form of nitrogen-containing heteroaromatic derivative free alkali 上海翰森生物医药科技有限公司 2024-06-25 — — CN disclosed
CN-113396147-B Aromatic heterocyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-06-18 — — CN disclosed
CN-115353509-B Nitrogen-containing heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2024-04-12 — — CN disclosed
CN-115448923-B Pyrimidine-fused ring compound, preparation method and application thereof 上海青煜医药科技有限公司 2024-03-22 — — CN disclosed
CN-116731044-A Pyrimidine-containing polycyclic biological inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-09-12 — — CN disclosed
CN-115353509-A Aza-containing aromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2022-11-18 — — CN disclosed
CN-111295374-B Aza-containing aromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2022-11-04 — — CN disclosed
CN-115052866-A Crystal form of free base of nitrogen-containing heteroaromatic derivative 上海翰森生物医药科技有限公司 2022-09-13 — — CN disclosed
CN-110156786-B Pyrimido-cyclic compounds, process for their preparation and their use 青煜医药研发(上海)有限公司 2022-06-03 — — CN disclosed
EP-3753941-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Blueray Biopharma Co., Ltd. (CN) 2020-12-23 — — EP disclosed
WO-2020239123-A1 AROMATIC HETEROCYCLIC DERIVATIVE MODULATOR AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2020-12-03 — — WO disclosed
Send feedback