SCHEMBL28638010

SCHEMBL28638010

c1ccc(-c2nc3ccccc3nc2C2CCCNC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
KCNH2 Q12809 1/20 0.46
CHRM1 P11229 2/20 0.45
HRH1 P35367 2/20 0.45
HPGDS O60760 1/20 0.44
CHEK1 O14757 2/20 0.42
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CCNA1 P78396 2/20 0.42
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
OPRL1 P41146 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK13 O15264 1/20 0.39
RAF1 P04049 1/20 0.39
MAPK9 P45984 1/20 0.39

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
SCHEMBL7699018 0.85 PDE10A (0.49) PDE10ATDP1L3MBTL1KDM4EPKM
Hydrochloric Acid SCHEMBL9989517 0.83 PDE10A (0.48) PDE10ATDP1L3MBTL1KDM4EPKM
SCHEMBL28079387 0.82 L3MBTL1 (0.58) PDE10ATDP1L3MBTL1KDM4EPKM
SCHEMBL5786475 0.78 HTR2A (0.50) HTR2AHTR2CKCNH2CHRM1HRH1
Hydrochloric Acid SCHEMBL5785380 0.77 HTR2A (0.49) HTR2AHTR2CKCNH2CHRM1HRH1
SCHEMBL7701524 0.74 PDE10A (0.57) PDE10ATDP1L3MBTL1KDM4EPKM
SCHEMBL6396966 0.73 HTR2A (0.41) PDE10AHTR2ACHRM1HRH1OPRM1
Hydrochloric Acid SCHEMBL9988047 0.72 PDE10A (0.56) PDE10ATDP1L3MBTL1KDM4EPKM
SCHEMBL12146723 0.72 TDP1 (0.48) PDE10ATDP1L3MBTL1RAF1KDM4E
SCHEMBL12146715 0.72 TDP1 (0.48) PDE10ATDP1L3MBTL1RAF1KDM4E

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-107206003-B Systems, methods, and compositions for cross-linking treatment of the eye 艾维德洛公司 2021-10-26 CN disclosed