SCHEMBL4734783

SCHEMBL4734783

O=C(c1ccsc1)N(Cc1ccc(N2CCN(c3ccc(F)cc3)CC2)nc1)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
ME2 P23368 2/20 0.40
ME1 P48163 2/20 0.40
ME3 Q16798 2/20 0.40
MAOB P27338 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
HTR1A P08908 2/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
DRD3 P35462 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36

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
SCHEMBL4734903 0.95 KDM4E (0.41) OPRM1OPRK1ME2ME1ME3
SCHEMBL4737955 0.91 OPRM1 (0.43) OPRM1OPRK1ME2ME1ME3
SCHEMBL4786222 0.90 KDM4E (0.49) OPRM1OPRK1ME2ME1ME3
SCHEMBL4734158 0.90 DRD4 (0.43) POLBSMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL4736796 0.88 OPRM1 (0.49) OPRM1OPRK1MAPTKDM4EALDH1A1
SCHEMBL4738192 0.87 HRH3 (0.42) OPRM1OPRK1ME2ME1ME3
SCHEMBL4738789 0.86 OPRM1 (0.49) OPRM1OPRK1ME2ME1ME3
SCHEMBL4739217 0.86 MEN1 (0.42) OPRM1OPRK1ME2ME1ME3
SCHEMBL4733765 0.84 CNR2 (0.36) OPRM1OPRK1KDM4EALDH1A1TSHR
SCHEMBL4735433 0.84 OPRM1 (0.40) OPRM1OPRK1KDM4EALDH1A1TSHR

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