SCHEMBL7816889

SCHEMBL7816889

COCCN(CCOC)CC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.35
PMP22 Q01453 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2D6 P10635 1/20 0.34
CHRM2 P08172 3/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
CYP2C19 P33261 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ADRA2A P08913 1/20 0.32
ALOX15 P16050 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CACNA1B Q00975 1/20 0.32

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
SCHEMBL15177374 0.95 BLM (0.40) BLMPMP22HSD17B10CYP2D6CHRM2
SCHEMBL21711103 0.90 CYP2D6 (0.37) BLMPMP22HSD17B10CYP2D6CHRM2
SCHEMBL18412664 0.90 BLM (0.36) BLMPMP22HSD17B10TDP1
SCHEMBL12735158 0.84 TRPA1 (0.39) BLMPMP22HSD17B10CYP2D6CHRM2
SCHEMBL8830981 0.83 MAPK1 (0.38) BLMPMP22HSD17B10CYP2D6CHRM2
SCHEMBL6827871 0.80 PIK3CD (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19546089 0.80 BLM (0.41) BLMPMP22HSD17B10CYP2D6CHRM2
SCHEMBL6347011 0.79 BLM (0.58) BLMPMP22HSD17B10CYP2D6CHRM2
SCHEMBL3571283 0.77 TSHR (0.40) BLMPMP22HSD17B10CYP2D6CHRM2
SCHEMBL7816887 0.77 BLM (0.40) BLMPMP22HSD17B10CYP2D6CHRM2

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
EP-0757682-B1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO (JP) 2001-06-20 EP disclosed
US-5858995-A ADMINISTERING TO HUMANS AND ANIMALS IN THE TREATMENT OF DISEASES CAUSED BY ABNORMAL BONE METABOLISM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-01-12 US disclosed