SCHEMBL8864625

SCHEMBL8864625

CCN(C(=O)C1(c2ccc(C)cc2)CC1N=S(=O)=O)C(=S)NC

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 8/20 0.34
▸ SLC6A4 P31645 7/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SLC6A3 Q01959 5/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ HTR2C P28335 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
SCHEMBL8864563 0.85 KMT2A (0.37) MEN1KMT2A
SCHEMBL8865079 0.67 SIGMAR1 (0.35) SLC6A2SLC6A4
SCHEMBL8864401 0.65 HSD11B1 (0.32) —
SCHEMBL8333490 0.63 — —
SCHEMBL145822 0.60 SLC6A3 (0.50) SLC6A2SLC6A4MEN1KMT2ASLC6A3
SCHEMBL17489528 0.59 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL16805891 0.55 HTR2C (0.55) SLC6A2SLC6A4HTR2C
SCHEMBL17486870 0.55 OPRM1 (0.42) MEN1KMT2A
SCHEMBL4776144 0.55 HTR2C (0.57) HTR2C
SCHEMBL15978574 0.54 OPRM1 (0.41) MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5633239-A CARDIOVASCULAR DISORDERS; HYPOGLYCEMIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-27 — — US disclosed
Send feedback