SCHEMBL29930375

SCHEMBL29930375

CCCCCNCCn1cnc2c(N)ncnc21

nearest known ligand 0.97

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.97
▸ ADCY1 Q08828 1/20 0.75
▸ ADORA2A P29274 8/20 0.72
▸ ADORA1 P30542 4/20 0.68
▸ ADORA2B P29275 1/20 0.68
▸ PI4KA P42356 2/20 0.58
▸ PI4K2B Q8TCG2 2/20 0.58
▸ PI4K2A Q9BTU6 2/20 0.58
▸ PI4KB Q9UBF8 2/20 0.58
▸ ADCY5 O95622 3/20 0.52
▸ BACE1 P56817 1/20 0.50
▸ FGFR1 P11362 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NSD3 Q9BZ95 1/20 0.49

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
SCHEMBL29087571 0.87 ALDH1A1 (0.79) ALDH1A1ADCY1ADORA2AADORA1ADORA2B
SCHEMBL29087636 0.87 ADCY1 (0.97) ALDH1A1ADCY1ADORA2AADORA1ADORA2B
SCHEMBL4551803 0.86 ADORA2A (0.91) ALDH1A1ADORA2AADORA1ADORA2BPI4KA
Nb-001 SCHEMBL29886392 0.86 ADCY1 (1.00) ALDH1A1ADCY1ADORA2AADORA1ADORA2B
Nb-001 SCHEMBL13697544 0.86 ADCY1 (1.00) ALDH1A1ADCY1ADORA2AADORA1ADORA2B
SCHEMBL23228230 0.85 ADORA2A (0.88) ALDH1A1ADCY1ADORA2AADORA1ADORA2B
SCHEMBL28228476 0.85 ADORA2A (0.88) ALDH1A1ADORA2AADORA1ADORA2BPI4KA
SCHEMBL1741560 0.85 ADORA2A (0.88) ALDH1A1ADCY1ADORA2AADORA1ADORA2B
SCHEMBL21469779 0.85 ADORA2A (0.88) ALDH1A1ADCY1ADORA2AADORA1ADORA2B
SCHEMBL28176129 0.85 ADORA2A (0.88) ALDH1A1ADORA2AADORA1ADORA2BPI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115998745-A Use of an adenylate cyclase inhibitor NB001 in the manufacture of a medicament for the treatment of pain and anxiety associated with Parkinson's disease 永展控股有限公司 2023-04-25 — — CN claimed
CN-115990167-A Application of adenylate cyclase inhibitor NB001 in preparation of medicine for treating migraine and anxiety 永展控股有限公司 2023-04-21 — — CN claimed
CN-114984020-A Use of adenylate cyclase inhibitors for the treatment of epilepsy and related disorders 永展控股有限公司 2022-09-02 — — CN claimed
CN-114984020-B Use of adenylate cyclase inhibitors for the treatment of epilepsy and related disorders 永展控股有限公司 2024-08-30 — — CN disclosed
CN-115998745-B Use of an adenylate cyclase inhibitor NB001 in the manufacture of a medicament for the treatment of pain and anxiety associated with Parkinson's disease 永展控股有限公司 2024-05-14 — — CN disclosed
CN-115998745-B Use of an adenylate cyclase inhibitor NB001 in the manufacture of a medicament for the treatment of pain and anxiety associated with Parkinson's disease 永展控股有限公司 2024-05-14 — — CN disclosed
CN-115998745-A Use of an adenylate cyclase inhibitor NB001 in the manufacture of a medicament for the treatment of pain and anxiety associated with Parkinson's disease 永展控股有限公司 2023-04-25 — — CN disclosed
CN-115998745-A Use of an adenylate cyclase inhibitor NB001 in the manufacture of a medicament for the treatment of pain and anxiety associated with Parkinson's disease 永展控股有限公司 2023-04-25 — — CN disclosed
CN-115990167-A Application of adenylate cyclase inhibitor NB001 in preparation of medicine for treating migraine and anxiety 永展控股有限公司 2023-04-21 — — CN disclosed
CN-115990167-A Application of adenylate cyclase inhibitor NB001 in preparation of medicine for treating migraine and anxiety 永展控股有限公司 2023-04-21 — — CN disclosed
CN-114984020-A Use of adenylate cyclase inhibitors for the treatment of epilepsy and related disorders 永展控股有限公司 2022-09-02 — — CN disclosed
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