SCHEMBL9633992

SCHEMBL9633992

COc1c(F)cccc1OCCN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTR1B P28222 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.39
CHRM2 P08172 2/20 0.39
LMNA P02545 1/20 0.39
CHRM1 P11229 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.39
KCNH2 Q12809 1/20 0.39
HIF1A Q16665 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL13617356 0.86 SMN1; SMN2 (0.58) KDM4EL3MBTL1TDP1HTR1BSMN1; SMN2
SCHEMBL13617359 0.85 SMN1; SMN2 (0.57) KDM4EL3MBTL1TDP1HTR1BSMN1; SMN2
SCHEMBL9632436 0.84 L3MBTL1 (0.49) L3MBTL1TDP1SMN1; SMN2MAPK1RAB9A
SCHEMBL9634005 0.84 L3MBTL1 (0.49) L3MBTL1TDP1SMN1; SMN2KMT2ACHRM2
SCHEMBL2035810 0.81 L3MBTL1 (0.53) KDM4EL3MBTL1TDP1SMN1; SMN2KMT2A
SCHEMBL21246942 0.80 L3MBTL1 (0.43) KDM4EL3MBTL1TDP1SMN1; SMN2MAPK1
SCHEMBL24096249 0.78 TAAR1 (0.48) KDM4EHTR1BSMN1; SMN2MAPK1TP53
SCHEMBL29669870 0.78 NFE2L2 (0.50) KDM4EL3MBTL1TDP1SMN1; SMN2MAPK1
SCHEMBL1627720 0.78 NFE2L2 (0.50) KDM4EL3MBTL1TDP1SMN1; SMN2MAPK1
SCHEMBL1682251 0.78 KDM4E (0.55) KDM4EL3MBTL1TDP1HTR1BSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0331943-B1 PHENOXYETHYLAMINE DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND COMPOSITION FOR EXHIBITING EXCELLENT ALPHA-1-BLOCKING ACTIVITY CONTAINING THE SAME Hokuriku Pharmaceutical Co.,Ltd (JP) 1992-06-17 EP disclosed
US-4971990-A HYPOTENSIVE AGENTS, DYSUREA HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 US disclosed
EP-0331943-A1 Phenoxyethylamine derivatives, process for preparing the same, and composition for exhibiting excellent alpha-1-blocking activity containing the same Hokuriku Pharmaceutical Co.,Ltd (JP) 1989-09-13 EP disclosed