SCHEMBL30718171

SCHEMBL30718171

CC(C)(C)OC(=O)n1c(-c2ccnc(N3CCNCC3)n2)cc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 17/20 0.48
▸ NR1H3 Q13133 4/20 0.45
▸ TRPV3 Q8NET8 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ ACHE P22303 1/20 0.43

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
SCHEMBL30718241 0.89 ACHE (0.55) NR1H2NR1H3TRPV3CA12CA9
SCHEMBL30619487 0.79 NR1H2 (0.64) NR1H2NR1H3TRPV3CA12CA9
SCHEMBL30718178 0.78 PIM1 (0.44) ACHE
SCHEMBL27029451 0.78 PIM1 (0.44) ACHE
SCHEMBL616817 0.74 CKS1B (0.44) NR1H2NR1H3CA12CA9
SCHEMBL22940433 0.74 NR1H2 (0.60) NR1H2NR1H3TRPV3CA12CA9
SCHEMBL2425894 0.73 NR1H2 (0.60) NR1H2NR1H3
SCHEMBL17134175 0.73 NR1H2 (0.58) NR1H2NR1H3TRPV3CA12CA9
SCHEMBL30077016 0.73 NR1H2 (0.58) NR1H2NR1H3TRPV3CA12CA9
SCHEMBL20101694 0.73 NR1H2 (0.54) NR1H2NR1H3

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-117157284-A CTLA-4 small molecule degradation agent and application thereof 苏州国匡医药科技有限公司 2023-12-01 — — CN disclosed
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