SCHEMBL21311697

SCHEMBL21311697

CN(C)C1CCCC(c2cccc(OC3CC3)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.38
DRD2 P14416 2/20 0.37
SLC6A4 P31645 5/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A3 Q01959 3/20 0.37
SCN9A Q15858 1/20 0.37
DRD3 P35462 1/20 0.36
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
GRM7 Q14831 1/20 0.35
ALOX5 P09917 1/20 0.34
MGLL Q99685 1/20 0.34
FFAR1 O14842 1/20 0.34
SOS1 Q07889 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
SCHEMBL20095849 0.82 MGLL (0.42) HTR2CSLC6A4MGLL
SCHEMBL20095848 0.82 MGLL (0.42) HTR2CSLC6A4MGLL
SCHEMBL20096106 0.82 MGLL (0.42) HTR2CSLC6A4MGLL
SCHEMBL20096261 0.81 SCN9A (0.42) HTR2CDRD2SCN9ADRD3MGLL
SCHEMBL21311996 0.81 SCN9A (0.38) HTR2CDRD2SCN9ADRD3ALOX5
SCHEMBL20096086 0.81 SCN9A (0.42) HTR2CDRD2SCN9ADRD3MGLL
SCHEMBL21311808 0.78 HTR2C (0.50) HTR2CDRD2SLC6A4SLC6A3DRD3
SCHEMBL21311628 0.78 HTR2C (0.50) HTR2CDRD2SLC6A4SLC6A3DRD3
SCHEMBL20095514 0.77 HTR2A (0.50) HTR2CSLC6A4SLC6A2SLC6A3
SCHEMBL21312221 0.77 MGLL (0.39) HTR2CSLC6A4SCN9AMGLL

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
WO-2019165290-A1 PYRIDINE-SULFONAMIDE COMPOUNDS AND THEIR USE AGAINST PAIN AND RELATED CONDITIONS GENENTECH, INC. (US) 2019-08-29 WO disclosed