SCHEMBL28572874

SCHEMBL28572874

CCOC(=O)c1sc(Nc2nc(N3CCC(N(C)C)CC3)cc(N3CCCC(C(N)=O)C3)n2)nc1C

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 6/20 0.77
▸ ALDH1A1 P00352 5/20 0.46
▸ MAPT P10636 5/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ LMNA P02545 2/20 0.44
▸ DHODH Q02127 5/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL29408551 1.00 PDE5A (0.77) PDE5AALDH1A1MAPTKDM4ELMNA
SCHEMBL291345 0.90 PDE5A (0.62) PDE5AALDH1A1MAPTKDM4EHPGD
SCHEMBL6068556 0.90 PDE5A (0.66) PDE5AALDH1A1MAPTKDM4ELMNA
SCHEMBL6068357 0.87 PDE5A (0.59) PDE5AALDH1A1MAPTKDM4ELMNA
SCHEMBL290775 0.84 PDE5A (0.80) PDE5AALDH1A1MAPTKDM4ELMNA
SCHEMBL29408550 0.84 PDE5A (0.80) PDE5AALDH1A1MAPTKDM4ELMNA
SCHEMBL28561850 0.84 PDE5A (0.71) PDE5AALDH1A1MAPTKDM4ELMNA
SCHEMBL6068209 0.83 PDE5A (0.70) PDE5AALDH1A1MAPTKDM4ELMNA
SCHEMBL291112 0.82 PDE5A (0.86) PDE5AALDH1A1MAPTKDM4ELMNA
SCHEMBL6068488 0.81 PDE5A (0.54) PDE5AALDH1A1MAPTKDM4ELMNA

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-114984229-A Treatment of addiction and impulse control disorders using PDE7 inhibitors 奥默罗斯公司 2022-09-02 — — CN disclosed
CN-112168972-A Treatment of addiction and impulse control disorders using PDE7 inhibitors 奥默罗斯公司 2021-01-05 — — CN disclosed
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