SCHEMBL7701240

SCHEMBL7701240

COC(=O)C1CCOc2c(I)cccc2C1O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.33
SLC6A2 P23975 5/20 0.33
SLC6A3 Q01959 4/20 0.33
CYP3A4 P08684 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR1A P08908 1/20 0.31

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
SCHEMBL7386441 0.86 SLC18A2 (0.36) CYP1A2TSHR
SCHEMBL7377008 0.85 HTR1A (0.44) CYP3A4CYP2D6HSD17B10HTR1A
SCHEMBL7384142 0.73 ADRA2A (0.39) CYP1A2TSHR
SCHEMBL7694457 0.72 CA1 (0.39) CYP1A2TSHRMAPK1HSD17B10
SCHEMBL7701247 0.72 PDCD1 (0.35)
SCHEMBL7377280 0.72 KDM4E (0.42) CYP3A4TSHR
SCHEMBL7700908 0.71 SLC18A2 (0.36) SLC6A4SLC6A2CYP1A2TSHRHSD17B10
SCHEMBL7388475 0.70 NLRP3 (0.36) SLC6A4SLC6A2SLC6A3CYP1A2TSHR
SCHEMBL19053757 0.70 ADRA2A (0.38)
SCHEMBL7417781 0.69 TSHR (0.41) SLC6A4SLC6A2SLC6A3CYP1A2CYP2D6

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
US-6346527-B1 1-BENZOXEPIN DERIVATIVES USED IN THE PREVENTION OF SODIUM AND HYDROGEN ION EXCHANGE; CARDIOVASCULAR, KIDNEY AND BRAIN DISORDER TREATMENT; ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-12 US disclosed
EP-1073650-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-07 EP disclosed
WO-1999055690-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-04 WO disclosed