SCHEMBL29058508

SCHEMBL29058508

CC(C)(C)OC(=O)N1CCC2(CC1)CC(n1cc(C(=O)O)cn1)C2

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.44
▸ CRBN Q96SW2 1/20 0.44
▸ NAMPT P43490 6/20 0.44
▸ ACACB O00763 5/20 0.43
▸ GPR119 Q8TDV5 6/20 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
SCHEMBL30535116 0.89 KRAS (0.42) DDB1CRBNACACBGPR119
SCHEMBL29058455 0.86 GPR119 (0.45) DDB1CRBNNAMPTACACBGPR119
SCHEMBL31306762 0.85 DDB1 (0.45) DDB1CRBNNAMPTACACBGPR119
SCHEMBL26981235 0.85 DDB1 (0.45) DDB1CRBNNAMPTACACBGPR119
SCHEMBL14662465 0.85 DDB1 (0.45) DDB1CRBNNAMPTACACBGPR119
SCHEMBL590396 0.85 DDB1 (0.55) DDB1CRBNGPR119
SCHEMBL20396064 0.83 DDB1 (0.43) DDB1CRBNNAMPTACACBGPR119
SCHEMBL20396112 0.83 DDB1 (0.43) DDB1CRBNNAMPTACACBGPR119
SCHEMBL25628785 0.83 DDB1 (0.43) DDB1CRBNNAMPTACACBGPR119
SCHEMBL21063634 0.82 USP30 (0.43) DDB1CRBNGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112010858-B BTK inhibitor, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2023-07-18 — — CN disclosed
CN-112010858-A BTK inhibitor, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2020-12-01 — — CN disclosed
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