SCHEMBL7232912

SCHEMBL7232912

O=C(O)[C@H]1CCCN(C(=O)c2ccccc2)C1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
HPGD P15428 1/20 0.64
GRM3 Q14832 1/20 0.61
GLA P06280 1/20 0.57
HSD17B10 Q99714 1/20 0.57
USP2 O75604 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
KDM4E B2RXH2 2/20 0.56
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.53
ACHE P22303 1/20 0.53
L3MBTL3 Q96JM7 1/20 0.53

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
SCHEMBL16442058 1.00 ALDH1A1 (0.64) ALDH1A1HPGDGRM3GLAHSD17B10
SCHEMBL1520334 1.00 ALDH1A1 (0.64) ALDH1A1HPGDGRM3GLAHSD17B10
SCHEMBL16695294 0.90 ACHE (0.60) HPGDL3MBTL1SMN1; SMN2ACHEL3MBTL3
SCHEMBL5479680 0.89 ALDH1A1 (0.62) ALDH1A1HPGDGLAHSD17B10USP2
SCHEMBL7232221 0.88 ALDH1A1 (0.61) ALDH1A1HPGDGLAHSD17B10USP2
SCHEMBL7232214 0.88 ALDH1A1 (0.61) ALDH1A1HPGDGLAHSD17B10USP2
SCHEMBL13804124 0.88 ALDH1A1 (0.61) ALDH1A1HPGDGRM3GLAHSD17B10
SCHEMBL3319143 0.88 HSD17B10 (0.74) ALDH1A1HPGDGLAHSD17B10USP2
SCHEMBL3319140 0.88 HSD17B10 (0.74) ALDH1A1HPGDGLAHSD17B10USP2
SCHEMBL192998 0.86 NPC1 (0.60) ALDH1A1GRM3GLAHSD17B10L3MBTL1

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
US-6664271-B1 Amide, carbamate and uredo derivatives of 3-piperidine-carboxylic acid or ester; protecting against infection by such as escherichia coli and/or actinobacillus pleuropneumoniae ELI LILLY AND COMPANY 2003-12-16 US claimed
US-6664271-B1 Amide, carbamate and uredo derivatives of 3-piperidine-carboxylic acid or ester; protecting against infection by such as escherichia coli and/or actinobacillus pleuropneumoniae ELI LILLY AND COMPANY 2003-12-16 US disclosed