SCHEMBL5739079

SCHEMBL5739079

COc1cccc(CCCN2C(=O)C3CCCN3C2=O)c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.52
HRH3 Q9Y5N1 2/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RECQL P46063 1/20 0.49
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL4893414 0.79 HTR1A (0.77) HTR1A
SCHEMBL4239985 0.78 DRD2 (0.50) HTR1AKMT2AKDM4EALDH1A1
SCHEMBL4239981 0.78 DRD2 (0.50) HTR1AKMT2AKDM4EALDH1A1
SCHEMBL4245221 0.76 DRD2 (0.53) HTR1AKMT2AKDM4EALDH1A1
SCHEMBL4245225 0.76 DRD2 (0.53) HTR1AKMT2AKDM4EALDH1A1
SCHEMBL4879734 0.76 HTR1A (0.75) HTR1A
SCHEMBL13879532 0.74 KMT2A (0.77) KMT2AALDH1A1
SCHEMBL22813625 0.72 HRH3 (0.83) HTR1AHRH3SIGMAR1
SCHEMBL5739138 0.71 SMN1; SMN2 (0.63) HTR1AKMT2AKDM4EALDH1A1RECQL
SCHEMBL8801774 0.71 NR1H2 (0.62) HTR1AKMT2AKDM4EALDH1A1SIGMAR1

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
EP-1244670-B1 HYDANTOIN DERIVATIVE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USING SAME MGI GP INC (US) 2006-03-08 EP claimed
EP-1244670-B1 HYDANTOIN DERIVATIVE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USING SAME MGI GP INC (US) 2006-03-08 EP disclosed