SCHEMBL8693241

SCHEMBL8693241

CCC(=O)C[C@@]1(CC(F)(F)F)CSc2cc(OC)ccc2[C@H](c2ccccc2)N1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.36
SLC10A2 Q12908 12/20 0.35
NQO2 P16083 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 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
SCHEMBL8798356 1.00 SLC6A9 (0.36) SLC6A9SLC10A2NQO2MTNR1AMTNR1B
SCHEMBL8797690 0.88 SLC10A2 (0.41) SLC10A2MEN1KMT2A
SCHEMBL8689710 0.88 SLC10A2 (0.41) SLC10A2MEN1KMT2A
SCHEMBL8694201 0.88 SLC10A2 (0.37) SLC6A9SLC10A2
SCHEMBL8797907 0.88 SLC10A2 (0.37) SLC6A9SLC10A2
SCHEMBL8689723 0.82 SLC10A2 (0.37) SLC6A9SLC10A2NQO2MTNR1AMTNR1B
SCHEMBL8797284 0.82 SLC10A2 (0.37) SLC6A9SLC10A2NQO2MTNR1AMTNR1B
SCHEMBL7479400 0.82 SLC6A9 (0.33) SLC6A9SLC10A2NQO2MTNR1AMTNR1B
SCHEMBL7479396 0.82 SLC6A9 (0.33) SLC6A9SLC10A2NQO2MTNR1AMTNR1B
SCHEMBL8194080 0.80 SLC10A2 (0.42) SLC10A2MEN1KMT2ASMN1; SMN2MAPT

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-5817652-A ATHEROSCLEROSIS GLAXO WELLCOME INC. (US) 1998-10-06 US disclosed
EP-0683773-B1 HYPOLIPIDAEMIC CONDENSED 1,4-THIAZEPINES WELLCOME FOUND (GB) 1997-09-17 EP disclosed
WO-1994018183-A1 HYPOLIPIDAEMIC CONDENSED 1,4-THIAZEPINES THE WELLCOME FOUNDATION LIMITED (GB) 1994-08-18 WO disclosed