SCHEMBL3824036

SCHEMBL3824036

CN1CCN(c2ccc(CN(C(=O)CCc3ccccc3)C3CCCC3)cn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
OPRM1 P35372 9/20 0.50
PKM P14618 1/20 0.49
TMEM97 Q5BJF2 2/20 0.48
ME2 P23368 1/20 0.47
ME1 P48163 1/20 0.47
ME3 Q16798 1/20 0.47
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SMO Q99835 1/20 0.43
RORC P51449 1/20 0.42
EP300 Q09472 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
SCHEMBL3828404 0.96 OPRM1 (0.52) L3MBTL1OPRM1PKMTMEM97ME2
SCHEMBL3860666 0.91 RORC (0.45) L3MBTL1OPRM1TMEM97ME2ME1
SCHEMBL3823818 0.86 AGER (0.48) OPRM1ALDH1A1LMNASMORORC
SCHEMBL3066199 0.83 DRD2 (0.43) L3MBTL1RAB9ASMN1; SMN2SMORORC
SCHEMBL8179598 0.79 HTR2A (0.57) L3MBTL1OPRM1ALDH1A1TSHRRAB9A
SCHEMBL4737202 0.79 SLC6A9 (0.43) L3MBTL1ALDH1A1TSHRSMO
SCHEMBL3827281 0.78 AGER (0.54) L3MBTL1ME2ME1ME3RAB9A
SCHEMBL4739773 0.78 SLC6A9 (0.45) L3MBTL1ALDH1A1TSHRSMO
SCHEMBL3829302 0.78 ALDH1A1 (0.50) OPRM1TMEM97ME2ME1ME3
SCHEMBL3827832 0.77 AGER (0.53) L3MBTL1TMEM97ME2ME1ME3

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 3 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
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed