SCHEMBL27460237

SCHEMBL27460237

O=C(Cc1ccccc1)C(=O)N1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.53
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
POLB P06746 2/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HSD11B1 P28845 1/20 0.46
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
ALDH1A1 P00352 4/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 2/20 0.43
TACR3 P29371 1/20 0.43
ME2 P23368 1/20 0.43
ME1 P48163 1/20 0.43
ME3 Q16798 1/20 0.43

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
SCHEMBL92506 0.84 L3MBTL1 (0.63) SIGMAR1POLBL3MBTL1HSD11B1ALDH1A1
SCHEMBL7563815 0.84 SIGMAR1 (0.50) SIGMAR1POLBKMT2AL3MBTL1HSD11B1
SCHEMBL9090627 0.83 L3MBTL1 (0.61) SIGMAR1POLBL3MBTL1HSD11B1ALDH1A1
Hydrochloric Acid SCHEMBL20337874 0.83 L3MBTL1 (0.61) SIGMAR1POLBKMT2AL3MBTL1HSD11B1
Hydrochloric Acid SCHEMBL14110124 0.83 SIGMAR1 (0.49) SIGMAR1POLBKMT2AL3MBTL1HSD11B1
Hydrochloric Acid SCHEMBL14110120 0.83 SIGMAR1 (0.49) SIGMAR1CES2CES1POLBKMT2A
Methyl Alcohol SCHEMBL10623350 0.81 HSD11B1 (0.64) SIGMAR1KMT2AL3MBTL1HSD11B1ALDH1A1
SCHEMBL8672473 0.79 L3MBTL1 (0.56) SIGMAR1POLBL3MBTL1HSD11B1ALDH1A1
SCHEMBL27303607 0.78 L3MBTL1 (0.59) SIGMAR1POLBL3MBTL1HSD11B1ALDH1A1
SCHEMBL8299455 0.78 SIGMAR1 (0.67) SIGMAR1KMT2AL3MBTL1ALDH1A1TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1109056-A Imidazopyridines MERCK PATENT GMBH (DE) 1995-09-27 CN disclosed