SCHEMBL31072001

SCHEMBL31072001

CC1CCc2ccc(Cl)nc2N1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.42
HTR2C P28335 4/20 0.36
HTR2B P41595 4/20 0.36
HTR2A P28223 3/20 0.36
KCNH2 Q12809 1/20 0.36
ALOX5 P09917 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL21767388 1.00 PDE10A (0.42) PDE10AHTR2CHTR2BHTR2AKCNH2
SCHEMBL21767380 1.00 PDE10A (0.42) PDE10AHTR2CHTR2BHTR2AKCNH2
SCHEMBL21767378 1.00 PDE10A (0.42) PDE10AHTR2CHTR2BHTR2AKCNH2
SCHEMBL4253493 0.81 PDE10A (0.45) PDE10AHTR2CHTR2BHTR2AKCNH2
SCHEMBL20153763 0.73 PDE10A (0.54) PDE10AHTR2CHTR2BHTR2A
SCHEMBL16668842 0.73 PDE10A (0.38) PDE10A
SCHEMBL22397485 0.72 ALOX5 (0.33) HTR2CHTR2BHTR2AKCNH2ALOX5
SCHEMBL7556092 0.71 PDE10A (0.52) PDE10A
SCHEMBL19365307 0.71 ALOX5 (0.33) HTR2CHTR2BHTR2AKCNH2ALOX5
SCHEMBL8039039 0.70 GSK3B (0.39) PDE10AHTR2CHTR2BHTR2A

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-118878533-A Inhibition of αvβ6 integrin 莫菲克医疗股份有限公司 2024-11-01 CN disclosed
CN-112805001-B Inhibition of αvβ6 integrin 莫菲克医疗股份有限公司 2024-07-23 CN disclosed