SCHEMBL20548174

SCHEMBL20548174

O=Cc1cnc(N2CC3(COC3)C2)nc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.40
DYRK1A Q13627 1/20 0.38
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HPGD P15428 4/20 0.33
HSD17B10 Q99714 4/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.31
CHRM4 P08173 1/20 0.31
ALDH3A1 P30838 1/20 0.30
ALDH1A3 P47895 1/20 0.30

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
SCHEMBL27138722 0.81 HTR3A (0.40) ADRA1ADYRK1AALDH1A1POLBCHRM4
SCHEMBL31047840 0.80 KCNJ1 (0.43) ADRA1ADYRK1AALDH1A1HPGDHSD17B10
SCHEMBL30988345 0.79 DYRK1A (0.41) ADRA1ADYRK1AKCNQ3KCNQ2ALDH1A1
SCHEMBL25644836 0.77 DYRK1A (0.43) ADRA1ADYRK1AKCNQ3KCNQ2ALDH1A1
SCHEMBL16824215 0.75 POLB (0.59) ADRA1ADYRK1AKCNQ3KCNQ2ALDH1A1
SCHEMBL1133918 0.74 POLB (0.57) ALDH1A1HSD17B10USP2POLBCYP1A2
SCHEMBL21292879 0.72 TRIM24 (0.52) ALDH1A1HSD17B10ALDH3A1ALDH1A3
SCHEMBL16824217 0.72 ADRA1A (0.44) ADRA1ADYRK1AKCNQ3KCNQ2ALDH1A1
SCHEMBL16824313 0.71 ADRA1A (0.48) ADRA1AKCNQ3KCNQ2ALDH1A1HPGD
SCHEMBL25308181 0.71 TRIM24 (0.44) ALDH1A1POLBALDH1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166166-B Alpha 2-adrenoreceptor subtype C (alpha-2C) antagonists for the treatment of sleep apnea 拜耳公司 2024-09-10 CN claimed
CN-113166166-B Alpha 2-adrenoreceptor subtype C (alpha-2C) antagonists for the treatment of sleep apnea 拜耳公司 2024-09-10 CN disclosed
EP-3615031-A1 SELECTIVE ADRENORECEPTOR ALPHA2C RECEPTOR ANTAGONISTS ALONE, OR IN COMBINATION WITH CHYMASE INHIBITORS FOR USE IN THE TREATMENT AND/OR PROPHYLAXIS OF PERIPHERAL ARTERY DISEASES (PAD) Bayer Aktiengesellschaft (DE) 2020-03-04 EP disclosed
WO-2018197333-A1 SELECTIVE ADRENORECEPTOR ALPHA2C RECEPTOR ANTAGONISTS ALONE, OR IN COMBINATION WITH CHYMASE INHIBITORS FOR USE IN THE TREATMENT AND/OR PROPHYLAXIS OF PERIPHERAL ARTERY DISEASES (PAD) BAYER AKTIENGESELLSCHAFT (DE) 2018-11-01 WO disclosed