SCHEMBL29104070

SCHEMBL29104070

O=C(O)CCN1CCN(c2ccc(Br)cc2)C[C@@H]1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ESRRB O95718 4/20 0.37
▸ ESRRG P62508 4/20 0.37
▸ POLB P06746 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ CNKSR1 Q969H4 1/20 0.35
▸ KMO O15229 1/20 0.35
▸ ESRRA P11474 2/20 0.35
▸ EIF4H Q15056 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL29104074 1.00 MAPT (0.38) MAPTNPSR1AKR1C3ALDH1A1GAA
SCHEMBL29104010 0.85 DRD2 (0.38) MAPTNPSR1AKR1C3ALDH1A1GAA
SCHEMBL29104005 0.85 DRD2 (0.38) MAPTNPSR1AKR1C3ALDH1A1GAA
SCHEMBL29104024 0.82 AKR1C3 (0.38) MAPTNPSR1AKR1C3ALDH1A1GAA
SCHEMBL29104027 0.82 AKR1C3 (0.38) MAPTNPSR1AKR1C3ALDH1A1GAA
SCHEMBL29104065 0.80 SLC6A2 (0.33) MAPTNPSR1AKR1C3ALDH1A1GAA
SCHEMBL29104061 0.80 SLC6A2 (0.33) MAPTNPSR1AKR1C3ALDH1A1GAA
SCHEMBL29104082 0.79 AKR1C3 (0.41) MAPTNPSR1AKR1C3ALDH1A1GAA
SCHEMBL29104036 0.74 DRD2 (0.43) MAPTNPSR1AKR1C3ALDH1A1GAA
SCHEMBL29104034 0.74 DRD2 (0.43) MAPTNPSR1AKR1C3ALDH1A1GAA

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
CN-117003755-A Pyrazolopyridazinone derivatives, compositions and uses thereof 北京伯汇生物技术有限公司 2023-11-07 — — CN disclosed
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