SCHEMBL4736796

SCHEMBL4736796

O=C(c1ccsc1)N(Cc1ccc(N2CCN(Cc3ccccc3)CC2)nc1)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.49
OPRK1 P41145 1/20 0.49
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
ACHE P22303 2/20 0.44
MAPT P10636 1/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
PRKAA2 P54646 3/20 0.40
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
PPARG P37231 1/20 0.39
DRD2 P14416 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL4738789 0.92 OPRM1 (0.49) OPRM1OPRK1ALDH1A1KDM4ETSHR
SCHEMBL4734903 0.91 KDM4E (0.41) OPRM1OPRK1ALDH1A1KDM4ETSHR
SCHEMBL4734158 0.89 DRD4 (0.43) ALDH1A1KDM4ETSHRACHEMAPT
SCHEMBL4734783 0.88 OPRM1 (0.40) OPRM1OPRK1ALDH1A1KDM4ETSHR
SCHEMBL4786222 0.87 KDM4E (0.49) OPRM1OPRK1ALDH1A1KDM4ETSHR
SCHEMBL4739217 0.87 MEN1 (0.42) OPRM1OPRK1ALDH1A1KDM4ETSHR
SCHEMBL4737955 0.87 OPRM1 (0.43) OPRM1OPRK1ALDH1A1KDM4ETSHR
SCHEMBL4735555 0.85 TSHR (0.53) OPRM1OPRK1ALDH1A1KDM4ETSHR
SCHEMBL4733666 0.85 OPRM1 (0.49) OPRM1OPRK1ALDH1A1KDM4ETSHR
SCHEMBL4735594 0.83 OPRM1 (0.48) OPRM1OPRK1ALDH1A1KDM4ETSHR

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