SCHEMBL10810983

SCHEMBL10810983

CCCCCCCCCCCCCc1cccc(OCC(COP(O)OCCC[N+](C)(C)C)OC(=O)CC)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 7/20 0.46
▸ PPARG P37231 5/20 0.46
▸ CNR1 P21554 4/20 0.42
▸ CNR2 P34972 4/20 0.42
▸ CHRM2 P08172 2/20 0.39
▸ CHRM1 P11229 2/20 0.39
▸ CHRM3 P20309 2/20 0.39
▸ CYP2D6 P10635 4/20 0.38
▸ P2RY10 O00398 2/20 0.37
▸ GPR174 Q9BXC1 1/20 0.36
▸ GPR34 Q9UPC5 1/20 0.36

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
SCHEMBL10809134 1.00 PPARA (0.46) PPARAPPARGCNR1CNR2CHRM2
SCHEMBL10807777 0.96 PPARA (0.46) PPARAPPARGCNR1CNR2CHRM2
SCHEMBL10805731 0.96 PPARA (0.46) PPARAPPARGCNR1CNR2CHRM2
SCHEMBL10811983 0.92 PPARA (0.46) PPARAPPARGCNR1CNR2CHRM2
SCHEMBL10808654 0.92 PPARA (0.46) PPARAPPARGCNR1CNR2CHRM2
SCHEMBL10805717 0.90 PPARA (0.46) PPARAPPARGCNR1CNR2CYP2D6
SCHEMBL10808531 0.90 PPARA (0.45) PPARAPPARGCNR1CNR2CHRM2
SCHEMBL10805747 0.90 PPARA (0.45) PPARAPPARGCNR1CNR2CHRM2
SCHEMBL10810263 0.90 PPARA (0.46) PPARAPPARGCNR1CNR2CYP2D6
SCHEMBL10806015 0.89 S1PR1 (0.40) CNR1CNR2

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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