SCHEMBL30360670

SCHEMBL30360670

Cc1cccc2c1CCO[C@@H]2CN

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 5/20 0.60
KEAP1 Q14145 1/20 0.47
HTR2C P28335 4/20 0.43
ADRA2A P08913 4/20 0.43
ADRA2B P18089 4/20 0.43
ADRA2C P18825 4/20 0.43
HTR2A P28223 2/20 0.43
HTR2B P41595 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
TAAR1 Q96RJ0 2/20 0.40
SLC6A3 Q01959 2/20 0.36
CYP2D6 P10635 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 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
SCHEMBL19813012 1.00 DRD1 (0.60) DRD1KEAP1HTR2CADRA2AADRA2B
SCHEMBL19813036 1.00 DRD1 (0.60) DRD1KEAP1HTR2CADRA2AADRA2B
SCHEMBL30360722 1.00 DRD1 (0.60) DRD1KEAP1HTR2CADRA2AADRA2B
SCHEMBL19813014 1.00 DRD1 (0.60) DRD1KEAP1HTR2CADRA2AADRA2B
SCHEMBL19824986 0.88 DRD1 (0.47) DRD1KEAP1HTR2CADRA2AADRA2B
SCHEMBL19812863 0.84 DRD1 (0.60) DRD1KEAP1HTR2CADRA2AADRA2B
SCHEMBL19812865 0.84 DRD1 (0.60) DRD1KEAP1HTR2CADRA2AADRA2B
SCHEMBL30360684 0.84 DRD1 (0.60) DRD1KEAP1HTR2CADRA2AADRA2B
SCHEMBL32670726 0.81 TAAR1 (0.52) DRD1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL19812882 0.81 TAAR1 (0.52) DRD1ADRA2AADRA2BADRA2CADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4464317-A2 COMPOUNDS AND COMPOSITIONS AND USES THEREOF Sumitomo Pharma America, Inc. (US) 2024-11-20 EP disclosed
EP-3494119-B1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF SUMITOMO PHARMA AMERICA INC (US) 2024-09-04 EP disclosed
CN-116514761-A Compounds, compositions and uses thereof 赛诺维信制药公司 2023-08-01 CN disclosed
CN-116283877-A Compounds, compositions and uses thereof 赛诺维信制药公司 2023-06-23 CN disclosed
CN-110088107-B Compounds, compositions and uses thereof 赛诺维信制药公司 2023-04-14 CN disclosed