SCHEMBL27469602

SCHEMBL27469602

c1ccc(CNC2COCCO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
BCHE P06276 2/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
FYN P06241 1/20 0.38
HRH2 P25021 1/20 0.38
ADRA1B P35368 1/20 0.38
OPRK1 P41145 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL23107103 0.78 GRIN2B (0.50) GRIN2BKDM1AMAOABCHEACHE
SCHEMBL28124320 0.76 GRIN2B (0.45) GRIN2BKDM1AMAOABCHEACHE
SCHEMBL3937405 0.74 GRIN2B (0.54) GRIN2BBCHEACHEBACE1FYN
SCHEMBL32675244 0.74 GRIN2B (0.54) GRIN2BBCHEACHEBACE1FYN
SCHEMBL1020862 0.73 DRD2 (0.49) KMT2A
SCHEMBL5807375 0.73 SIGMAR1 (0.35) GRIN2BKDM1A
SCHEMBL28124785 0.72 FUCA1 (0.43) GRIN2BKDM1AMAOABCHEACHE
Hydrochloric Acid SCHEMBL28186224 0.72 DRD2 (0.48) KMT2A
SCHEMBL20528646 0.72 GRIN2B (0.56) GRIN2BKDM1AMAOABCHEACHE
Hydrochloric Acid SCHEMBL28154419 0.71 NPC1 (0.38) RAB9A

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
CN-1173954-C Compounds, compositions and methods for generating chemiluminescence by reaction with phosphatases 3 2004-11-03 CN disclosed
CN-1312252-A Intermediate of chemical compound generating chemical illumination when reacts with phosphatase RUMIGEN CO (US) 2001-09-12 CN disclosed
CN-1180349-A Compounds, compositions and methods for generating chemiluminescence by reaction with phosphatases LUMIGEN INC (US) 1998-04-29 CN disclosed