SCHEMBL10816865

SCHEMBL10816865

CCCCCCCCCCCCCCCOCC(COP(=O)(O)CCC[N+](C)(C)C)OC(C)=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.70
PTAFR P25105 1/20 0.70
HTR1D P28221 1/20 0.70
HTR2C P28335 1/20 0.70
ADRA1B P35368 1/20 0.70
DRD3 P35462 1/20 0.70
TMEM97 Q5BJF2 1/20 0.70
MAPT P10636 1/20 0.53
RECQL P46063 1/20 0.52
PRKD3 O94806 1/20 0.51
PRKCG P05129 1/20 0.51
PRKCB P05771 1/20 0.51
PRKCA P17252 1/20 0.51
PRKCH P24723 1/20 0.51
AKT1 P31749 1/20 0.51
PRKCI P41743 1/20 0.51
PRKCE Q02156 1/20 0.51
PRKCQ Q04759 1/20 0.51
PRKCZ Q05513 1/20 0.51
PRKCD Q05655 1/20 0.51

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
SCHEMBL10816393 1.00 ADRA1D (0.70) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL10814907 0.96 ADRA1D (0.69) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL10808632 0.96 ADRA1D (0.69) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL10807926 0.96 ADRA1D (0.69) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL10806239 0.95 ADRA1D (0.70) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL10813752 0.95 ADRA1D (0.70) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL10807118 0.95 ADRA1D (0.70) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL10808141 0.95 ADRA1D (0.70) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL10807546 0.95 ADRA1D (0.70) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL10816454 0.89 ADRA1D (0.56) ADRA1DPTAFRHTR1DHTR2CADRA1B

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-4640913-A Phosphocholine derivatives having antihypertensive action AMERICAN CYANAMID COMPANY (US) 1987-02-03 US disclosed