SCHEMBL3860666

SCHEMBL3860666

CN1CCN(c2ccc(CN(C(=O)Cc3ccccc3)C3CCCC3)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.45
ME2 P23368 1/20 0.44
ME1 P48163 1/20 0.44
ME3 Q16798 1/20 0.44
FNTA P49354 2/20 0.44
FNTB P49356 2/20 0.44
SMO Q99835 1/20 0.43
OPRM1 P35372 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
HTR2A P28223 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CCR5 P51681 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41

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 0.91 L3MBTL1 (0.55) RORCME2ME1ME3SMO
SCHEMBL3823818 0.87 AGER (0.48) RORCSMOOPRM1LMNAHTR2A
SCHEMBL3828404 0.87 OPRM1 (0.52) RORCME2ME1ME3OPRM1
SCHEMBL3066199 0.84 DRD2 (0.43) RORCSMOL3MBTL1RAB9ASMN1; SMN2
SCHEMBL8179598 0.80 HTR2A (0.57) OPRM1L3MBTL1HTR2AMEN1KMT2A
SCHEMBL4737202 0.80 SLC6A9 (0.43) SMOL3MBTL1HTR2AKMT2AKDM4E
SCHEMBL3827281 0.79 AGER (0.54) ME2ME1ME3L3MBTL1HTR2A
SCHEMBL4739773 0.79 SLC6A9 (0.45) SMOL3MBTL1HTR2AKMT2AKDM4E
SCHEMBL3827832 0.78 AGER (0.53) ME2ME1ME3L3MBTL1SIGMAR1
SCHEMBL20780538 0.78 OPRM1 (0.62) OPRM1LMNAHTR2ATMEM97

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