SCHEMBL29831777

SCHEMBL29831777

CCOC(=O)c1sc(Nc2nc(N3CCC(O)CC3)cc(N3CCC(O)(c4ccc(Br)cc4)CC3)n2)nc1C

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.75
MAPT P10636 5/20 0.51
KDM4E B2RXH2 5/20 0.51
DHODH Q02127 5/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.44
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL290826 1.00 PDE5A (0.75) PDE5AMAPTKDM4EDHODHNPSR1
SCHEMBL29831847 0.92 PDE5A (0.75) PDE5AMAPTKDM4EDHODHNPSR1
SCHEMBL291639 0.92 PDE5A (0.75) PDE5AMAPTKDM4EDHODHNPSR1
SCHEMBL29832221 0.92 PDE5A (0.78) PDE5AMAPTKDM4EDHODHNPSR1
SCHEMBL290493 0.92 PDE5A (0.78) PDE5AMAPTKDM4EDHODHNPSR1
SCHEMBL6068299 0.87 PDE5A (0.86) PDE5AMAPTKDM4EDHODHNPSR1
SCHEMBL290844 0.87 PDE5A (1.00) PDE5AMAPTKDM4EDHODHNPSR1
SCHEMBL29408529 0.85 PDE5A (0.69) PDE5AMAPTKDM4EDHODHNPSR1
SCHEMBL290309 0.85 PDE5A (0.69) PDE5AMAPTKDM4EDHODHNPSR1
SCHEMBL6068122 0.84 PDE5A (0.74) PDE5AMAPTKDM4EDHODHNPSR1

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-115192711-A Use of PDE7 inhibitors for the treatment of movement disorders 奥默罗斯公司 2022-10-18 CN disclosed
CN-114984229-A Treatment of addiction and impulse control disorders using PDE7 inhibitors 奥默罗斯公司 2022-09-02 CN disclosed