SCHEMBL1672238

SCHEMBL1672238

Cc1ccc2c(c(CCNC3CN4CCC3CC4)cn2S(=O)(=O)c2ccccc2)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.41
HTR3A P46098 1/20 0.39
CHRNA7 P36544 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR1F P30939 1/20 0.35
HTR7 P34969 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL4318359 0.85 HTR3A (0.44) HTR6HTR3ADRD2HTR1D
SCHEMBL4318361 0.85 HTR3A (0.44) HTR6HTR3ADRD2HTR1D
SCHEMBL701006 0.84 HTR3A (0.43) HTR6HTR3ADRD2HTR1D
SCHEMBL1673073 0.84 CHRM2 (0.40) CHRNA7SIGMAR1HTR1D
SCHEMBL700099 0.82 MEN1 (0.48) HTR6HTR3ADRD2HTR1D
SCHEMBL700100 0.82 MEN1 (0.48) HTR6HTR3ADRD2HTR1D
Lithium Ion SCHEMBL700947 0.81 HTR3A (0.42) HTR6HTR3ADRD2HTR1D
SCHEMBL1672448 0.74 SIGMAR1 (0.39) HTR3ACHRNA7SIGMAR1HTR1D
SCHEMBL1672248 0.73 SIGMAR1 (0.40) HTR3ACHRNA7SIGMAR1
SCHEMBL1672243 0.73 SIGMAR1 (0.38) HTR3ACHRNA7SIGMAR1

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-2310019-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF Albany Molecular Research, Inc. (US) 2011-04-20 EP disclosed
WO-2009155054-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2009-12-23 WO disclosed