SCHEMBL3828404

SCHEMBL3828404

CN1CCN(c2ccc(CN(C(=O)CCc3ccccc3)C3CC3)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.52
PKM P14618 1/20 0.51
TMEM97 Q5BJF2 2/20 0.49
ME2 P23368 1/20 0.48
ME1 P48163 1/20 0.48
ME3 Q16798 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RORC P51449 1/20 0.44
EP300 Q09472 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
SCHEMBL3824036 0.96 L3MBTL1 (0.55) OPRM1PKMTMEM97ME2ME1
SCHEMBL3860666 0.87 RORC (0.45) OPRM1TMEM97ME2ME1ME3
SCHEMBL3823818 0.82 AGER (0.48) OPRM1ALDH1A1LMNARORC
SCHEMBL3829302 0.79 ALDH1A1 (0.50) OPRM1TMEM97ME2ME1ME3
SCHEMBL3066199 0.79 DRD2 (0.43) L3MBTL1RAB9ASMN1; SMN2RORC
SCHEMBL3827832 0.75 AGER (0.53) TMEM97ME2ME1ME3L3MBTL1
SCHEMBL8179598 0.75 HTR2A (0.57) OPRM1L3MBTL1ALDH1A1TSHRRAB9A
SCHEMBL4737202 0.75 SLC6A9 (0.43) L3MBTL1ALDH1A1TSHR
SCHEMBL4738099 0.74 RORC (0.36) L3MBTL1ALDH1A1MAPTSMN1; SMN2RORC
SCHEMBL3827281 0.74 AGER (0.54) ME2ME1ME3L3MBTL1RAB9A

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
EP-2097379-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-09 EP claimed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed