SCHEMBL9735019

SCHEMBL9735019

CN(C)CCCN(C(=O)c1ccncc1)c1ccccc1SCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 7/20 0.62
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 1/20 0.40
UBE2N P61088 2/20 0.39
NPC1 O15118 1/20 0.39
MEN1 O00255 2/20 0.39
RAD52 P43351 3/20 0.38
ACHE P22303 1/20 0.37
MAPT P10636 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL7290237 0.92 NPY2R (0.69) NPY2RKMT2AUBE2NNPC1MEN1
SCHEMBL9736552 0.87 NPY2R (0.62) NPY2RKMT2AUBE2NNPC1MEN1
SCHEMBL7288977 0.85 NPY2R (0.58) NPY2RKMT2AUBE2NNPC1MEN1
SCHEMBL7290248 0.83 NPY2R (0.69) NPY2RKMT2AKDM4EMAPTL3MBTL1
Oxalic Acid SCHEMBL7291345 0.81 NPY2R (0.63) NPY2RKMT2AKDM4EMAPTL3MBTL1
SCHEMBL7297873 0.80 NPY2R (0.67) NPY2RKMT2AMAPT
SCHEMBL7290404 0.78 NPY2R (0.65) NPY2RKMT2ANPC1ACHEMAPT
SCHEMBL7288694 0.77 NPY2R (0.61) NPY2RKMT2AKDM4EMEN1RAD52
SCHEMBL7290591 0.77 NPY2R (0.61) NPY2RKMT2AKDM4EMEN1RAD52
SCHEMBL7290259 0.77 KDM4E (0.59) KMT2AKDM4EUBE2NNPC1MEN1

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
US-5116851-A Administering antiischemic and antiarrhythmia agents E. R. SQUIBB & SONS, INC. (US) 1992-05-26 US claimed
US-5116851-A Administering antiischemic and antiarrhythmia agents E. R. SQUIBB & SONS, INC. (US) 1992-05-26 US disclosed