SCHEMBL9023079

SCHEMBL9023079

CC(c1ccccc1)C1(O)CCCC1N

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
TRPA1 O75762 1/20 0.37
GAA P10253 1/20 0.37
OPRL1 P41146 6/20 0.36
OPRM1 P35372 5/20 0.36
OPRK1 P41145 5/20 0.36
OPRD1 P41143 4/20 0.36
RECQL P46063 1/20 0.36
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2C P18825 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL7704043 0.78 SLC6A4 (0.45) LMNA
SCHEMBL10892146 0.74 GAA (0.40) L3MBTL1GAAOPRL1
SCHEMBL4862021 0.72 KMT2A (0.39) OPRL1OPRK1RECQLLMNAHPGD
SCHEMBL4789001 0.71 L3MBTL1 (0.32) L3MBTL1
SCHEMBL17086664 0.70 OPRM1 (0.47) OPRL1OPRM1OPRK1OPRD1LMNA
SCHEMBL17086655 0.70 OPRM1 (0.47) OPRL1OPRM1OPRK1OPRD1LMNA
SCHEMBL19494132 0.70 OPRM1 (0.47) OPRL1OPRM1OPRK1OPRD1LMNA
SCHEMBL17086666 0.70 OPRM1 (0.47) OPRL1OPRM1OPRK1OPRD1LMNA
SCHEMBL17086651 0.70 OPRM1 (0.47) OPRL1OPRM1OPRK1OPRD1LMNA
SCHEMBL17086668 0.69 OPRM1 (0.50) OPRL1OPRM1OPRK1OPRD1LMNA

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
EP-0452074-B1 Ergoline-8-carboxamides for blocking 5HT receptors LILLY CO ELI (US) 1996-01-24 EP disclosed