SCHEMBL2042943

SCHEMBL2042943

NCC[C@@H]1OCCc2ccsc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 1.00
HTR1A P08908 1/20 0.61
DRD2 P14416 1/20 0.61
HTR7 P34969 1/20 0.61
KEAP1 Q14145 1/20 0.47
DRD1 P21728 2/20 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
SCHEMBL14903761 1.00 TAAR1 (1.00) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL12644088 0.87 TAAR1 (1.00) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL14903739 0.87 TAAR1 (1.00) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL14903730 0.87 TAAR1 (1.00) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL28945875 0.87 TAAR1 (0.77) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL28964100 0.85 TAAR1 (0.74) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL6551697 0.84 TAAR1 (0.72) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL2037558 0.81 TAAR1 (0.76) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL14903760 0.81 TAAR1 (0.76) TAAR1HTR1ADRD2HTR7KEAP1
Hydrochloric Acid SCHEMBL28514686 0.80 TAAR1 (0.74) TAAR1HTR1ADRD2HTR7KEAP1

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-2507245-A2 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2012-10-10 EP disclosed
WO-2011069063-A2 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS, INC. (US) 2011-06-09 WO disclosed