SCHEMBL23893026

SCHEMBL23893026

C[C@@H]1c2ccccc2CC12CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 4/20 0.46
▸ ATM Q13315 1/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ NAMPT P43490 6/20 0.44
▸ TSHR P16473 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ KDM1A O60341 2/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ PKM P14618 1/20 0.42

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
SCHEMBL29609272 0.89 GPR119 (0.45) GPR119ATMMAPK1NAMPTTSHR
SCHEMBL24282932 0.89 GPR119 (0.45) GPR119ATMMAPK1NAMPTTSHR
SCHEMBL27457062 0.88 KDM1A (0.46) GPR119ATMMAPK1NAMPTTSHR
SCHEMBL28514011 0.88 KDM1A (0.46) GPR119ATMMAPK1NAMPTTSHR
SCHEMBL24878866 0.86 NAMPT (0.47) GPR119ATMMAPK1NAMPTKDM1A
SCHEMBL24983179 0.85 ATM (0.44) GPR119ATMMAPK1NAMPTTSHR
SCHEMBL21383837 0.84 TSHR (0.44) GPR119ATMMAPK1NAMPTTSHR
SCHEMBL29890956 0.84 TSHR (0.44) GPR119ATMMAPK1NAMPTTSHR
SCHEMBL23046133 0.84 TSHR (0.44) GPR119ATMMAPK1NAMPTTSHR
SCHEMBL23902044 0.83 ATM (0.43) GPR119ATMMAPK1NAMPTTSHR

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
EP-3889153-A1 PYRIMIDINE AND FIVE-MEMBERED NITROGEN HETEROCYCLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF Tuojie Biotech (Shanghai) Co., Ltd. (CN) 2021-10-06 — — EP disclosed
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