SCHEMBL4755079

SCHEMBL4755079

CN1CCN(c2cc(Cl)cc(C(=O)NN)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 3/20 0.47
RAB9A P51151 4/20 0.45
HDAC3 O15379 6/20 0.45
HDAC8 Q9BY41 6/20 0.45
PLOD2 O00469 1/20 0.43
PLOD3 O60568 1/20 0.43
PLOD1 Q02809 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 3/20 0.42
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4758239 0.82 MAPK14 (0.47) DDR1HDAC3HDAC8PLOD2PLOD3
SCHEMBL545939 0.81 TPMT (0.52) RAB9APLOD2PLOD3PLOD1KDM4E
SCHEMBL1482084 0.81 BCL2A1 (0.44) DDR1RAB9APLOD2PLOD3PLOD1
Hydrochloric Acid SCHEMBL2327804 0.80 BCL2A1 (0.43) DDR1RAB9APLOD2PLOD3PLOD1
SCHEMBL18352938 0.79 PLOD2 (0.62) RAB9AHDAC3HDAC8PLOD2PLOD3
SCHEMBL5639759 0.78 HDAC3 (0.68) RAB9AHDAC3HDAC8NPC1KMT2A
SCHEMBL4757779 0.78 HDAC3 (0.44) DDR1HDAC3HDAC8KMT2ALMNA
SCHEMBL4756997 0.77 MEN1 (0.48) ALDH1A1KMT2ALMNAMAPT
SCHEMBL8318081 0.77 BCL2A1 (0.59) RAB9AKDM4EALDH1A1GAAKMT2A
SCHEMBL2635338 0.75 KDM4E (0.61) RAB9AKDM4EALDH1A1GAALMNA

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
WO-2009000819-A1 5-PHENYL-1,3,4-OXADIAZOL-2-YL-ACETYL-4-PIPERIDINYL DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-12-31 WO disclosed
WO-2009000819-A1 5-PHENYL-1,3,4-OXADIAZOL-2-YL-ACETYL-4-PIPERIDINYL DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-12-31 WO disclosed