SCHEMBL9633041

SCHEMBL9633041

COc1cc(F)ccc1OCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.60
TSHR P16473 3/20 0.60
NPC1 O15118 3/20 0.60
HPGD P15428 3/20 0.60
MAPK1 P28482 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.52
AGTR1 P30556 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
HEXA P06865 1/20 0.50
HEXB P07686 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL9631943 0.95 RAB9A (0.60) RAB9ATSHRNPC1HPGDMAPK1
SCHEMBL9633218 0.88 RAB9A (0.59) RAB9ATSHRNPC1HPGDMAPK1
SCHEMBL9632000 0.88 RAB9A (0.59) RAB9ATSHRNPC1HPGDMAPK1
SCHEMBL29227699 0.87 TSHR (0.75) RAB9ATSHRNPC1HPGDMAPK1
SCHEMBL30960133 0.87 TSHR (0.75) RAB9ATSHRNPC1HPGDMAPK1
SCHEMBL9632462 0.87 RAB9A (0.61) RAB9ATSHRNPC1HPGDMAPK1
SCHEMBL6565574 0.84 L3MBTL1 (0.59) RAB9ATSHRNPC1HPGDMAPK1
SCHEMBL6567482 0.83 RAB9A (0.62) RAB9ATSHRNPC1HPGDMAPK1
SCHEMBL15013524 0.82 RXFP1 (0.64) RAB9ATSHRNPC1HPGDMAPK1
SCHEMBL8816740 0.82 TSHR (0.56) RAB9ATSHRNPC1HPGDMAPK1

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