SCHEMBL16615341

SCHEMBL16615341

Cc1cc(C)c(N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
HTR1D P28221 5/20 0.35
TSHR P16473 2/20 0.34
HTR1B P28222 3/20 0.32
RXRB P28702 2/20 0.32
RXRA P19793 1/20 0.32
RAPGEF4 Q8WZA2 2/20 0.32
ALDH1A1 P00352 1/20 0.31
CA2 P00918 1/20 0.31
TYR P14679 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR1A P08908 2/20 0.31
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CHRM2 P08172 1/20 0.31

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
SCHEMBL16615344 0.89 RXRB (0.38) POLBGABRA1GABRB2HTR1DTSHR
SCHEMBL19901698 0.84 TSHR (0.46) POLBGABRA1GABRB2HTR1DTSHR
SCHEMBL24019348 0.83 TSHR (0.42) POLBHTR1DTSHRHTR1BRXRB
SCHEMBL15158560 0.83 GABRA1 (0.41) POLBGABRA1GABRB2HTR1DTSHR
SCHEMBL16615379 0.82 TSHR (0.48) POLBHTR1DTSHRHTR1BRXRB
SCHEMBL6716792 0.81 CYP2D6 (0.37) POLBHTR1DTSHRHTR1BRXRB
SCHEMBL1116041 0.80 RAPGEF4 (0.40) POLBHTR1DTSHRRXRBRXRA
SCHEMBL15304825 0.80 RAPGEF4 (0.40) POLBHTR1DTSHRRXRBRXRA
SCHEMBL12018768 0.79 TSHR (0.50) POLBGABRA1GABRB2HTR1DTSHR
SCHEMBL2607267 0.79 TSHR (0.50) POLBGABRA1GABRB2HTR1DTSHR

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
US-20160218291-A1 POLYMER AND ORGANIC LIGHT EMITTING DEVICE CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2016-07-28 US disclosed
US-20160218291-A1 POLYMER AND ORGANIC LIGHT EMITTING DEVICE CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2016-07-28 US disclosed
WO-2015044656-A1 POLYMER AND ORGANIC LIGHT EMITTING DEVICE CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2015-04-02 WO disclosed