SCHEMBL20441237

SCHEMBL20441237

CCCn1cnc(CC(NC(=O)C(C)N)C(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 15/20 0.66
CPB1 P15086 6/20 0.66
TRHR P34981 1/20 0.37
TRHDE Q9UKU6 1/20 0.37
KDM5A P29375 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34

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
SCHEMBL20419007 0.89 CPB2 (0.53) CPB2CPB1TRHRTRHDE
SCHEMBL20441244 0.86 CPB2 (0.50) CPB2CPB1TRHRTRHDE
SCHEMBL25431018 0.85 CPB2 (0.46) CPB2CPB1TRHR
SCHEMBL3336369 0.85 CPB2 (0.46) CPB2CPB1TRHR
SCHEMBL6268747 0.80 CPB2 (1.00) CPB2CPB1TRHDEKDM5AKDM5B
SCHEMBL3839535 0.80 CPB2 (1.00) CPB2CPB1TRHDEKDM5AKDM5B
SCHEMBL6328167 0.79 CPB2 (0.64) CPB2CPB1KDM5AKDM5B
SCHEMBL10583023 0.79 CPB2 (0.64) CPB2CPB1KDM5AKDM5B
SCHEMBL6329225 0.79 CPB2 (0.64) CPB2CPB1ACE
SCHEMBL10137873 0.78 CPB2 (0.64) CPB2CPB1KDM5AKDM5BCPA1

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
WO-2018140580-A1 NANOPARTICLES FOR SUSTAINED OPHTHALMIC DRUG DELIVERY AND METHODS OF USE 2C TECH CORP. (US) 2018-08-02 WO disclosed