SCHEMBL13617359

SCHEMBL13617359

COc1cccc(OCCN)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
KDM4E B2RXH2 1/20 0.55
HTR1B P28222 1/20 0.50
MAPK1 P28482 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 2/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL7407020 0.88 SMN1; SMN2 (0.73) SMN1; SMN2KDM4EHTR1BMAPK1L3MBTL1
SCHEMBL9633992 0.85 KDM4E (0.52) SMN1; SMN2KDM4EHTR1BMAPK1L3MBTL1
SCHEMBL401448 0.82 KDM4E (0.75) SMN1; SMN2KDM4EHTR1BMAPK1L3MBTL1
SCHEMBL13617356 0.81 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EHTR1BMAPK1L3MBTL1
SCHEMBL11105088 0.81 SMN1; SMN2 (0.57) SMN1; SMN2MAPK1L3MBTL1RAB9ATDP1
SCHEMBL902827 0.81 SMN1; SMN2 (0.57) SMN1; SMN2MAPK1L3MBTL1RAB9ALMNA
Hydrochloric Acid SCHEMBL1623557 0.80 KDM4E (0.79) SMN1; SMN2KDM4EHTR1BMAPK1L3MBTL1
Ethylamine SCHEMBL27871983 0.79 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1TDP1HTR2AHTR2C
SCHEMBL11092732 0.79 SMN1; SMN2 (0.60) SMN1; SMN2MAPK1L3MBTL1RAB9ATDP1
Hydrochloric Acid SCHEMBL25376194 0.79 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EHTR1BMAPK1L3MBTL1

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-1888538-B1 (3,4-DIHYDRO-QUINAZOLIN-2-YL)-(2-ARYLOXY-ETHYL)-AMINES HAVING AN ACTIVITY ON THE 5-HT RECEPTOR HOFFMANN LA ROCHE (CH) 2009-11-18 EP disclosed