SCHEMBL7238451

SCHEMBL7238451

CCCCOC(=O)C1CCCN(C(=O)c2ccccc2)C1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.64
ALDH1A1 P00352 7/20 0.60
ADRB2 P07550 1/20 0.60
TSHR P16473 3/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
POLB P06746 1/20 0.57
HTT P42858 1/20 0.55
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 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
SCHEMBL1223375 0.88 HPGD (0.76) HPGDALDH1A1TSHRSMN1; SMN2POLB
SCHEMBL7242265 0.81 HPGD (0.73) HPGDALDH1A1ADRB2TSHRSMN1; SMN2
SCHEMBL7235196 0.81 ALDH1A1 (0.61) HPGDALDH1A1SMN1; SMN2POLBHTT
SCHEMBL7235193 0.81 ALDH1A1 (0.61) HPGDALDH1A1SMN1; SMN2POLBHTT
SCHEMBL7232365 0.79 ALDH1A1 (0.55) HPGDALDH1A1ADRB2TSHRSMN1; SMN2
SCHEMBL7234470 0.77 NAAA (0.55) HPGDALDH1A1NPC1RAB9A
SCHEMBL13804124 0.77 ALDH1A1 (0.61) HPGDALDH1A1SMN1; SMN2POLBNPC1
SCHEMBL13468069 0.77 ALDH1A1 (0.67) HPGDALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL16442058 0.77 ALDH1A1 (0.64) HPGDALDH1A1SMN1; SMN2POLB
SCHEMBL1520334 0.77 ALDH1A1 (0.64) HPGDALDH1A1SMN1; SMN2POLB

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