SCHEMBL2473584

SCHEMBL2473584

CCCn1c(CO)c(C)c2ccnc(N(Cc3ccc(F)cc3C)C(=O)OC(C)(C)C)c21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.33
SLC6A4 P31645 3/20 0.33
HTR2A P28223 1/20 0.33
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
SSTR4 P31391 1/20 0.31
NR3C2 P08235 1/20 0.30

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
SCHEMBL2475422 0.87 HTR2A (0.33) HTR2CSLC6A4HTR2AKDM5AKDM4C
SCHEMBL2473585 0.76 ALDH1A1 (0.31) KDM5AKDM4CKDM5B
SCHEMBL2479063 0.74 KMT2A (0.36) KDM5AKDM4CKDM5B
SCHEMBL2479420 0.73 CASP6 (0.40)
SCHEMBL2473102 0.72 CCNT1 (0.35) HTR2CSLC6A4HTR2AKDM5AKDM4C
SCHEMBL5430886 0.68 ABL1 (0.37) NR3C2
Potassium Ion SCHEMBL2477023 0.68 FBP1 (0.33)
SCHEMBL5439596 0.66 FBP1 (0.33) KDM5AKDM4CKDM5B
SCHEMBL5439591 0.66 FBP1 (0.33) KDM5AKDM4CKDM5B
SCHEMBL5439602 0.66 FBP1 (0.33) KDM5AKDM4CKDM5B

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
EP-1787991-B1 PYRROLO[2,3-c]PYRIDINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE TAKEDA PHARMACEUTICAL (JP) 2011-10-05 EP disclosed