SCHEMBL8540323

SCHEMBL8540323

O=C(O)N(c1cccc(C2CCCN2Cc2ccncc2)c1)N1CCc2ccccc2C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 3/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OPRK1 P41145 10/20 0.38
OPRM1 P35372 7/20 0.38
SCD O00767 1/20 0.37
ACHE P22303 1/20 0.37
OPRD1 P41143 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
ADAM17 P78536 1/20 0.36
PRMT5 O14744 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL8540362 0.75 LIPE (0.52) ALDH1A1KMT2AKDM4EOPRK1OPRM1
SCHEMBL8540467 0.71 KDM4E (0.52) ALDH1A1KDM4EGAATSHRHTT
Carbamic Acid SCHEMBL8540366 0.71 RECQL (0.46) ALDH1A1KMT2AKDM4EGAATSHR
SCHEMBL8537772 0.71 ALDH1A1 (0.47) ALDH1A1KMT2AKDM4EGAATSHR
SCHEMBL9250795 0.68 OPRK1 (0.47) ALDH1A1KDM4EGAATSHRHTT
SCHEMBL8544449 0.68 OPRM1 (0.41) ALDH1A1KDM4EGAATSHRHTT
SCHEMBL7482587 0.68 GRIN2D (0.37) KMT2AKDM4EGAASMN1; SMN2PRMT5
SCHEMBL8538897 0.67 ALDH1A1 (0.66) ALDH1A1KMT2AKDM4EGAATSHR
SCHEMBL8538305 0.67 OPRK1 (0.48) ALDH1A1KDM4EGAATSHRHTT
SCHEMBL8541194 0.66 DRD2 (0.59) ALDH1A1KDM4EGAATSHRHTT

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-0671388-B1 (Pyrrolidinyl)phenyl carbamates and intermediate compounds, processes for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-06-10 EP claimed