SCHEMBL8200727

SCHEMBL8200727

COc1ccc(CCCCN=C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.50
IGF1R P08069 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX5 P09917 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
MIF P14174 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
F2RL1 P55085 1/20 0.44
SCN5A Q14524 1/20 0.43
SCN2A Q99250 1/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
SCNN1A P37088 1/20 0.42

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
SCHEMBL11412224 0.95 CALM1 (0.51) CALM1IGF1RALOX15ALOX5TAAR1
SCHEMBL11418258 0.90 CALM1 (0.47) CALM1IGF1RALOX15ALOX5TAAR1
SCHEMBL11414017 0.89 CALM1 (0.46) CALM1IGF1RALOX15ALOX5TAAR1
SCHEMBL11413062 0.89 CALM1 (0.46) CALM1IGF1RALOX15ALOX5TAAR1
SCHEMBL11412752 0.89 LMNA (0.47) CALM1IGF1RALOX15ALOX5TAAR1
SCHEMBL1845479 0.88 TAAR1 (0.50) CALM1TAAR1MIFF2RL1
SCHEMBL331162 0.86 MIF (0.52) MIF
SCHEMBL17274310 0.82 NAAA (0.63) CALM1IGF1RALOX15TAAR1MIF
SCHEMBL9427222 0.81 MIF (0.44) IGF1RALOX15TAAR1MIFSCN5A
SCHEMBL330828 0.80 MIF (0.50) MIF

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
US-6040289-A ACTIVE DRUG TREATING OBESITY DR. KARL THOMAE GMBH (DE) 2000-03-21 US disclosed