SCHEMBL29089141

SCHEMBL29089141

Cc1ccn(-c2cccnc2N2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.48
▸ GPR119 Q8TDV5 2/20 0.45
▸ TRPV1 Q8NER1 3/20 0.45
▸ KIT P10721 2/20 0.44
▸ GBA1 P04062 1/20 0.44
▸ TRPA1 O75762 2/20 0.44
▸ CKS1B P61024 1/20 0.43
▸ SKP1 P63208 1/20 0.43
▸ SKP2 Q13309 1/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ GRIA1 P42261 1/20 0.42
▸ DTYMK P23919 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.42
▸ ACHE P22303 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
SCHEMBL8923132 0.83 POLB (0.55) POLBGPR119TRPV1KITGBA1
SCHEMBL31728100 0.82 MEN1 (0.43) GPR119KITGBA1CKS1BSKP1
SCHEMBL22915106 0.82 POLB (0.47) POLBGPR119TRPV1KITGBA1
SCHEMBL3436722 0.81 POLB (0.57) POLBGPR119TRPV1KITGBA1
SCHEMBL122104 0.79 GPR119 (0.56) POLBGPR119TRPV1KITGBA1
SCHEMBL22391780 0.79 POLB (0.58) POLBGPR119KITGBA1CKS1B
SCHEMBL10317314 0.79 POLB (0.58) POLBGPR119KITGBA1CKS1B
SCHEMBL31046329 0.78 POLB (0.57) POLBGPR119TRPV1KITGBA1
SCHEMBL2715768 0.78 POLB (0.57) POLBGPR119TRPV1KITGBA1
SCHEMBL3213486 0.78 TRPV1 (0.69) TRPV1TRPA1GAA

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-112154145-B Piperazine azaspiro derivatives 辉瑞大药厂 2023-10-17 — — CN disclosed
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