SCHEMBL7238463

SCHEMBL7238463

O=C[C@H]1CCCN(C(=O)Cc2cccs2)C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HSD17B10 Q99714 2/20 0.50
HTT P42858 1/20 0.49
HPGD P15428 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 3/20 0.47
TSHR P16473 2/20 0.47
USP2 O75604 2/20 0.47
MAPT P10636 3/20 0.46
PKM P14618 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CASP1 P29466 1/20 0.46
GFER P55789 1/20 0.45
POLB P06746 2/20 0.44

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
SCHEMBL7238470 1.00 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL7241560 0.83 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL28630788 0.82 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL6794958 0.81 MAPT (0.58) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL7233482 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL7232816 0.81 MAPT (0.58) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL7233063 0.80 MAPT (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
Ammonia Solution, Strong SCHEMBL7239598 0.80 MAPT (0.57) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL7232704 0.80 MAPT (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
Ammonia Solution, Strong SCHEMBL7239595 0.80 MAPT (0.57) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10

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