SCHEMBL4738686

SCHEMBL4738686

O=C(c1ccco1)N(Cc1ccc(N2CCN(CCc3ccccc3)CC2)nc1)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.55
HTR1A P08908 3/20 0.48
DRD4 P21917 3/20 0.48
HTR2A P28223 3/20 0.48
DRD3 P35462 3/20 0.48
SLC6A4 P31645 2/20 0.48
TMEM97 Q5BJF2 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
OPRD1 P41143 2/20 0.46
OPRK1 P41145 2/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
DRD2 P14416 2/20 0.43
HTR2C P28335 2/20 0.43
HTR7 P34969 2/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 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
SCHEMBL4735594 0.91 OPRM1 (0.48) OPRM1HTR1ADRD4HTR2ADRD3
SCHEMBL4739792 0.89 LMNA (0.49) OPRM1LMNAKDM4EALDH1A1TSHR
SCHEMBL4735586 0.88 LMNA (0.53) OPRM1LMNAKDM4EALDH1A1TSHR
SCHEMBL4738710 0.88 LMNA (0.49) OPRM1HTR1ADRD4HTR2ADRD3
SCHEMBL4733936 0.87 OPRM1 (0.49) OPRM1HTR1ADRD4HTR2ADRD3
SCHEMBL4734088 0.87 LMNA (0.53) OPRM1OPRK1LMNAKDM4EALDH1A1
SCHEMBL4735444 0.86 LMNA (0.52) OPRM1OPRK1LMNAKDM4EALDH1A1
SCHEMBL4737945 0.86 OPRM1 (0.44) OPRM1HTR1ADRD4HTR2ADRD3
SCHEMBL4737984 0.86 ALDH1A1 (0.53) DRD4DRD3LMNAKDM4EALDH1A1
SCHEMBL4740309 0.85 LMNA (0.46) OPRM1LMNAKDM4EALDH1A1TSHR

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
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed