SCHEMBL28742011

SCHEMBL28742011

COc1ccccc1[C@@H](N)CC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MTNR1A P48039 5/20 0.42
MTNR1B P49286 5/20 0.42
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
CTSD P07339 1/20 0.40
CACNA1B Q00975 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
DRD2 P14416 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL381854 0.84 HTT (0.50) POLBHTTNPSR1L3MBTL1CTSD
SCHEMBL8770864 0.84 POLB (0.47) POLBHTTNPSR1L3MBTL1MTNR1A
SCHEMBL4392054 0.83 ADRA1A (0.40) MTNR1AMTNR1BLMNACYP1A2
SCHEMBL21656592 0.83 POLB (0.50) POLBHTTNPSR1L3MBTL1MTNR1A
Hydrochloric Acid SCHEMBL6704501 0.82 MEN1 (0.41) MTNR1AMTNR1BLMNACYP1A2
SCHEMBL7837944 0.80 ALDH1A1 (0.34) POLBHTTNPSR1L3MBTL1MTNR1A
SCHEMBL5720914 0.80 POLB (0.55) POLBHTTNPSR1L3MBTL1CTSD
SCHEMBL3385975 0.80 POLB (0.55) POLBHTTNPSR1L3MBTL1CTSD
SCHEMBL12463681 0.80 POLB (0.55) POLBHTTNPSR1L3MBTL1CTSD
SCHEMBL31364568 0.80 POLB (0.55) POLBHTTNPSR1L3MBTL1CTSD

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
CN-1221535-C Spiroimidazolidine derivatives, their preparation, their use and pharmaceutical preparations comprising them AVENTIS PHARMA GMBH (DE) 2005-10-05 CN disclosed
CN-1356986-A Spiroimidazolidine derivatives, their prepn. their use and pharmaceutical prepns. comprising them AVENTIS PHARMA GMBH (DE) 2002-07-03 CN disclosed