SCHEMBL1099599

SCHEMBL1099599

c1ccc2c(c1)-c1nccc3c1C2CCC3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.43
ADRA2A P08913 3/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1B P35368 1/20 0.43
CYP2D6 P10635 2/20 0.40
HTR1A P08908 1/20 0.40
OPRM1 P35372 1/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
BLM P54132 2/20 0.40
KMT2A Q03164 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
GID4 Q8IVV7 1/20 0.36
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
IDO1 P14902 2/20 0.34
IGF1R P08069 1/20 0.34
ALOX15 P16050 1/20 0.34
P2RX7 Q99572 1/20 0.33
ADRA2B P18089 1/20 0.33

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
SCHEMBL1099603 0.83 ADRA2A (0.41) ADRA1AADRA2AADRA1DADRA1BCYP2D6
SCHEMBL1087686 0.79 GID4 (0.43) ADRA1AADRA2AADRA1DADRA1BCYP2D6
SCHEMBL1099479 0.78 ADRA2A (0.37) ADRA1AADRA2AADRA1DADRA1BCYP2D6
Ammonia Solution, Strong SCHEMBL8699361 0.73 GID4 (0.45) ADRA1AADRA2AADRA1DADRA1BCYP2D6
SCHEMBL1099175 0.72 CHRNB2 (0.32) ADRA1AADRA2AADRA1DADRA1BADRA2B
SCHEMBL13309033 0.69 MAOA (0.43) ADRA1AADRA2AADRA1DADRA1BCYP2D6
SCHEMBL27584867 0.68 ADRA2A (0.45) ADRA1AADRA2AADRA1DADRA1BCYP2D6
SCHEMBL13783146 0.67 IGF1R (0.37) ADRA1AADRA2AADRA1DADRA1BCYP2D6
Urea SCHEMBL2359624 0.66 HTT (0.42) ALDH1A1BLMIDO1MAPK1
SCHEMBL9814150 0.66 ADRA1A (0.65) ADRA1AADRA2AADRA1DADRA1BCYP2D6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153276-B2 Polymer compound and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-10 US disclosed
US-8153276-B2 Polymer compound and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-10 US disclosed
US-20100066237-A1 POLYMER COMPOUND AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
US-20100066237-A1 POLYMER COMPOUND AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
US-20090174326-A1 POLYMER MATERIAL AND POLYMER LIGHT-EMITTING DEVICE USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-09 US disclosed