SCHEMBL8797284

SCHEMBL8797284

CCC1(CC(=O)C(F)(F)C(F)(F)F)CSc2cc(OC)ccc2C(c2ccccc2)N1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 18/20 0.37
SLC6A9 P48067 1/20 0.36
NQO2 P16083 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL8689723 1.00 SLC10A2 (0.37) SLC10A2SLC6A9NQO2MTNR1AMTNR1B
SCHEMBL8228239 0.88 SLC10A2 (0.44) SLC10A2
SCHEMBL8228241 0.88 SLC10A2 (0.44) SLC10A2
SCHEMBL8694201 0.88 SLC10A2 (0.37) SLC10A2SLC6A9
SCHEMBL8797907 0.88 SLC10A2 (0.37) SLC10A2SLC6A9
SCHEMBL8194080 0.84 SLC10A2 (0.42) SLC10A2
SCHEMBL8693241 0.82 SLC6A9 (0.36) SLC10A2SLC6A9NQO2MTNR1AMTNR1B
SCHEMBL7482516 0.82 SLC10A2 (0.37) SLC10A2
SCHEMBL7482510 0.82 SLC10A2 (0.37) SLC10A2
SCHEMBL8798356 0.82 SLC6A9 (0.36) SLC10A2SLC6A9NQO2MTNR1AMTNR1B

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-0683773-B1 HYPOLIPIDAEMIC CONDENSED 1,4-THIAZEPINES WELLCOME FOUND (GB) 1997-09-17 EP disclosed
EP-0683773-A1 HYPOLIPIDAEMIC CONDENSED 1,4-THIAZEPINES. WELLCOME FOUND (GB) 1995-11-29 EP disclosed
WO-1994018183-A1 HYPOLIPIDAEMIC CONDENSED 1,4-THIAZEPINES THE WELLCOME FOUNDATION LIMITED (GB) 1994-08-18 WO disclosed