SCHEMBL10955342

SCHEMBL10955342

CCCC1=NCCCN1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.36
KCNH2 Q12809 2/20 0.36
CHRM1 P11229 1/20 0.36
HRH1 P35367 1/20 0.36
SLC29A1 Q99808 1/20 0.36
CYP3A4 P08684 2/20 0.35
LMNA P02545 1/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 1/20 0.35
MAOA P21397 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
HTR1D P28221 1/20 0.33
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PTGS2 P35354 1/20 0.33
OPRK1 P41145 1/20 0.33
CHRNA4 P43681 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
SCHEMBL10947708 0.88 CYP2D6 (0.38) CHRM2KCNH2CHRM1HRH1SLC29A1
SCHEMBL20052856 0.87
SCHEMBL12593807 0.86 ALDH1A1 (0.38) CHRM2KCNH2CHRM1HRH1SLC29A1
SCHEMBL1312234 0.83
SCHEMBL18993097 0.80 CYP2D6 (0.36) CYP3A4CYP2D6CYP2C19PDE4DCYP1A2
SCHEMBL244993 0.78 POLB (0.33) CYP3A4LMNACYP2D6CYP2C19TSHR
SCHEMBL18827234 0.77 CYP2D6 (0.39) CYP3A4CYP2D6CYP2C19CYP1A2TSHR
SCHEMBL6660516 0.75 HTR1D (0.40) ADRA2AADRA2BADRA2CHTR1D
SCHEMBL9819087 0.73 CHRM2 (0.33) CHRM2KCNH2CHRM1HRH1SLC29A1
SCHEMBL2512263 0.72 ADRA2A (0.38) ADRA2AADRA2BADRA2CHTR1D

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
US-4524104-A ACRYLIC COPOLYMER AND BLOCKED ISOCYANATE SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1985-06-18 US disclosed