SCHEMBL9687964

SCHEMBL9687964

CN(C)CCc1ccc(NS(C)(=O)=O)c2[nH]ncc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.45
JAK1 P23458 3/20 0.45
TYK2 P29597 2/20 0.39
JAK3 P52333 2/20 0.39
METAP2 P50579 5/20 0.38
HTR6 P50406 4/20 0.34
HTR7 P34969 2/20 0.34
HTR5A P47898 2/20 0.34
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR1E P28566 1/20 0.33
HTR1F P30939 1/20 0.33
HTR2B P41595 1/20 0.33
HTR3A P46098 1/20 0.33
SLC47A1 Q96FL8 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL9688716 0.85 JAK2 (0.47) JAK2JAK1TYK2JAK3METAP2
SCHEMBL9688718 0.81 HTR6 (0.34) HTR6HTR7HTR5AHTR1AHTR1B
SCHEMBL9689988 0.80 ROCK2 (0.42) METAP2HTR6HTR5AHTR1D
SCHEMBL9688943 0.79 JAK2 (0.46) JAK2JAK1TYK2JAK3METAP2
SCHEMBL9688738 0.74 HTR1A (0.43) HTR6HTR7HTR5AHTR1AHTR1D
SCHEMBL9687754 0.74 HTR6 (0.38) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL9688419 0.72 SMN1; SMN2 (0.43) HTR6
SCHEMBL31253211 0.63 HTR2A (0.58) HTR6HTR7HTR5AHTR1AHTR1D
SCHEMBL21894631 0.62 JAK2 (1.00) JAK2JAK1TYK2JAK3NR3C1
SCHEMBL22864257 0.61 NOS1 (0.34)

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-0189473-B1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-05-27 EP disclosed
US-4958026-A HYPOTENSIVE AGENTS SCHERING AKTIENGESLLSCHAFT (DE) 1990-09-18 US disclosed