SCHEMBL7865025

SCHEMBL7865025

C=CCc1ccccc1-c1ncc(C(C)O)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
ADRA2C P18825 5/20 0.40
ADRB2 P07550 4/20 0.40
ADRB1 P08588 4/20 0.40
LMNA P02545 3/20 0.40
HTR1A P08908 3/20 0.40
KCNH2 Q12809 2/20 0.40
ADRB3 P13945 2/20 0.40
SLC6A2 P23975 1/20 0.40
BDKRB2 P30411 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PMP22 Q01453 1/20 0.40

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
SCHEMBL7793906 0.82 GABRA1 (0.39) GABRA1GABRB2ADRA2CADRB2ADRB1
SCHEMBL8517500 0.80 ADRB2 (0.39) GABRA1GABRB2ADRA2CADRB2ADRB1
SCHEMBL7863562 0.78 ADRB2 (0.46) ADRB2ADRB1LMNAHTR1AADRB3
SCHEMBL7864420 0.77 XDH (0.36) GABRA1GABRB2ADRA2CADRB2ADRB1
SCHEMBL9289369 0.77 GABRA1 (0.44) GABRA1GABRB2TSHRKDM4ETDP1
SCHEMBL5139620 0.76 GABRA1 (0.48) GABRA1GABRB2ADRA2CHTR1AKCNH2
SCHEMBL7865075 0.74 USP1 (0.40) ADRA2CADRB2ADRB1LMNAHTR1A
SCHEMBL7867258 0.74 ADRB2 (0.35) ADRA2CADRB2ADRB1LMNAHTR1A
SCHEMBL7856837 0.73 CYP3A4 (0.54) ADRB2ADRB1LMNAADRB3TSHR
SCHEMBL2362466 0.70 GABRA1 (0.61) GABRA1GABRB2ADRA2CLMNAHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1067122-A2 Phenylpyrimidine derivatives, process for preparing the same, liquid crystal compositions containing said derivatives as active ingredient, and liquid crystal elements using such compositions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-01-10 EP disclosed
US-5723610-A Alcohol reactants for forming phenylpyrimidine derivatives and process for preparing said alcohols SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-03-03 US disclosed
US-5539115-A FERROELECTRIC CRYSTALS FOR OPTICAL APPARATUS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-07-23 US disclosed
EP-0435632-A2 Phenylpyrimidine derivatives, process for preparing the same, liquid crystal compositions containing said derivatives as active ingredient, and liquid crystal elements using such compositions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-07-03 EP disclosed