SCHEMBL10810938

SCHEMBL10810938

CCCCCCCCCCCCCCc1ccccc1OCC(COP(=O)(O)CCC[N+](C)(C)C)OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 1/20 0.45
▸ PTAFR P25105 1/20 0.45
▸ HTR1D P28221 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ ADRA1B P35368 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ TMEM97 Q5BJF2 1/20 0.45
▸ MAPT P10636 1/20 0.42
▸ CETP P11597 3/20 0.39
▸ P2RY10 O00398 7/20 0.39
▸ GPR34 Q9UPC5 4/20 0.39
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ GPR174 Q9BXC1 4/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39

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
SCHEMBL10809708 0.96 ADRA1D (0.45) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL10806858 0.92 CETP (0.41) CETPP2RY10GPR34THRATHRB
SCHEMBL10806131 0.87 CETP (0.40) CETPP2RY10GPR34THRATHRB
SCHEMBL10807984 0.83 S1PR1 (0.51) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL10808732 0.83 S1PR1 (0.51) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL10804674 0.82 PPARA (0.47) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL10806787 0.81 LTB4R (0.39) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL10811640 0.81 LTB4R (0.39) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL10807294 0.80 ADRA1D (0.39) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL10809418 0.80 ADRA1D (0.41) 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
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