SCHEMBL5237828

SCHEMBL5237828

CN(C)C1(c2ccccc2)CCC(CNC(=S)NCCCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.61
OPRM1 P35372 8/20 0.61
IDO1 P14902 2/20 0.50
MAPT P10636 5/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALOX12 P18054 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SLC6A4 P31645 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
SCHEMBL4860232 0.94 OPRL1 (0.66) OPRL1OPRM1IDO1MAPTMAPK1
SCHEMBL4849167 0.88 OPRL1 (0.68) OPRL1OPRM1IDO1MAPTMAPK1
SCHEMBL4855464 0.87 OPRL1 (0.66) OPRL1OPRM1IDO1MAPTMAPK1
Citric Acid SCHEMBL4858328 0.87 OPRL1 (0.55) OPRL1OPRM1MAPTMAPK1MEN1
Hydrochloric Acid SCHEMBL4854811 0.86 OPRL1 (0.67) OPRL1OPRM1IDO1MAPTMAPK1
SCHEMBL5343485 0.85 OPRL1 (0.74) OPRL1OPRM1MAPTMAPK1MEN1
SCHEMBL2379196 0.84 OPRL1 (0.62) OPRL1OPRM1MEN1KMT2A
Hydrochloric Acid SCHEMBL5336823 0.84 OPRL1 (0.74) OPRL1OPRM1MAPTMAPK1MEN1
Hydrochloric Acid SCHEMBL5339275 0.84 OPRL1 (0.60) OPRL1OPRM1MAPTMEN1KMT2A
SCHEMBL6168849 0.84 OPRL1 (0.59) OPRL1OPRM1MAPTMEN1KMT2A

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-1560809-B1 CYCLOHEXYLUREA DERIVATIVES GRUENENTHAL GMBH (DE) 2007-08-22 EP claimed