SCHEMBL4553211

SCHEMBL4553211

Oc1ccccc1-c1ccc2c(c1)CCNC2

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.60
ASIC3 Q9UHC3 5/20 0.53
PNMT P11086 2/20 0.50
CD44 P16070 1/20 0.50
MAOB P27338 1/20 0.50
DRD2 P14416 2/20 0.45
DRD3 P35462 1/20 0.45
SYK P43405 1/20 0.43
PRCP P42785 1/20 0.43
DRD1 P21728 1/20 0.43
ADCY6 O43306 1/20 0.43
ADCY3 O60266 1/20 0.43
ADCY9 O60503 1/20 0.43
ADCY5 O95622 1/20 0.43
ADCY8 P40145 1/20 0.43
ADCY7 P51828 1/20 0.43
ADCY2 Q08462 1/20 0.43
ADCY1 Q08828 1/20 0.43
ADCY4 Q8NFM4 1/20 0.43

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
SCHEMBL3704728 0.80 CD274 (0.55) CD274ASIC3PNMTCD44MAOB
SCHEMBL25402840 0.79 CD274 (0.61) CD274ASIC3PNMTCD44MAOB
SCHEMBL3703063 0.79 CD274 (0.54) CD274ASIC3PNMTCD44MAOB
SCHEMBL6347388 0.78 ASIC3 (0.65) CD274ASIC3PNMTCD44MAOB
SCHEMBL27977079 0.78 ESR2 (0.49) DRD2DRD3DRD1ADCY8ADCY1
SCHEMBL27663193 0.78 ESR2 (0.49) DRD2DRD3DRD1
SCHEMBL22866959 0.78 CD274 (0.86) CD274ASIC3PNMTCD44MAOB
SCHEMBL24842524 0.78 CD274 (0.60) CD274ASIC3PNMTCD44MAOB
SCHEMBL25405965 0.78 CD274 (0.74) CD274ASIC3PNMTCD44MAOB
SCHEMBL30534720 0.78 CD274 (0.60) CD274ASIC3PNMTCD44MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021213358-A1 BORON-CONTAINING COMPOUNDS AND APPLICATION THEREOF 江苏先声药业有限公司 (CN) 2021-10-28 WO disclosed
EP-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 EP disclosed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 WO disclosed