SCHEMBL6277724

SCHEMBL6277724

CCC(NC(=O)N1CCc2c([nH]c3ccc(OC)cc23)C12CCN(CCOc1ccccc1)C2)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 5/20 0.42
ATM Q13315 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
TRPA1 O75762 3/20 0.40
TRPV1 Q8NER1 2/20 0.40
KDR P35968 1/20 0.40
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MAPKAPK2 P49137 2/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38

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
SCHEMBL6282128 0.91 CFTR (0.47) CFTRATMKMT2AKDM4EMEN1
SCHEMBL6280730 0.87 CFTR (0.46) CFTRATMKMT2AKDM4EMEN1
SCHEMBL6496428 0.87 CFTR (0.47) CFTRATMKMT2AKDM4EMEN1
SCHEMBL6280570 0.86 CFTR (0.44) CFTRATMKMT2AKDM4EMEN1
SCHEMBL6280386 0.86 CFTR (0.43) CFTRATMKMT2AKDM4EMEN1
SCHEMBL6280092 0.86 KMT2A (0.44) CFTRATMKMT2AKDM4EMEN1
SCHEMBL6280476 0.86 CFTR (0.47) CFTRATMKMT2AKDM4EMEN1
SCHEMBL6496683 0.85 CFTR (0.46) CFTRATMKMT2AKDM4EMEN1
SCHEMBL6280805 0.85 CFTR (0.44) CFTRATMKMT2AKDM4EMEN1
SCHEMBL6279842 0.85 CFTR (0.47) CFTRATMKMT2AKDM4EMEN1

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-2005048916-A2 TETRAHYDROSPIRO-BETA-CARBOLINE-1,3 '-PYRROLIDINE DERIVATIVES AND THEIR USE IN GHSR-RELATED DISORDERS BIOVITRUM AB (SE) 2005-06-02 WO claimed