SCHEMBL1849666

SCHEMBL1849666

CN(C)NCC(Cc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.61
▸ CPA1 P15085 6/20 0.54
▸ CPA3 P15088 3/20 0.54
▸ FOLH1 Q04609 3/20 0.54
▸ CPB1 P15086 1/20 0.54
▸ CPB2 Q96IY4 1/20 0.54
▸ NAALAD2 Q9Y3Q0 1/20 0.50
▸ SLC1A3 P43003 1/20 0.50
▸ SLC1A2 P43004 1/20 0.50
▸ SLC1A1 P43005 1/20 0.50
▸ LTA4H P09960 1/20 0.48

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
SCHEMBL17995281 0.81 CYP1A2 (0.68) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL12188594 0.78 CYP1A2 (0.63) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL13957277 0.78 CYP1A2 (0.63) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL4664822 0.78 CYP1A2 (1.00) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL1614712 0.76 MME (0.53) CYP1A2CPA1NAALAD2
SCHEMBL4992960 0.76 CYP1A2 (0.66) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL1614710 0.76 MME (0.53) CYP1A2CPA1NAALAD2
SCHEMBL7432418 0.76 CYP1A2 (0.86) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL22115491 0.76 CYP1A2 (0.95) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL7439697 0.76 CYP1A2 (0.86) CYP1A2CPA1CPA3FOLH1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247573-B1 CARBONIC AND SULPHURIC ACID SALTS OF 3-(2,2,2-TRIMETHYLHYDRAZINIUM)PROPIONATE ESTERS AND THEIR USE FOR 3-(2,2,2-TRIMETHYLHYDRAZINIUM)PROPIONATE DIHYDRATE PREPARATION GRINDEKS JSC (LV) 2011-05-25 — — EP disclosed
EP-2247573-A1 CARBONIC AND SULPHURIC ACID SALTS OF 3-(2,2,2-TRIMETHYLHYDRAZINIUM)PROPIONATE ESTERS AND THEIR USE FOR 3-(2,2,2-TRIMETHYLHYDRAZINIUM)PROPIONATE DIHYDRATE PREPARATION Grindeks, a joint stock company (LV) 2010-11-10 — — EP disclosed
WO-2009103772-A1 CARBONIC AND SULPHURIC ACID SALTS OF 3-(2,2,2-TRIMETHYLHYDRAZINIUM)PROPIONATE ESTERS AND THEIR USE FOR 3-(2,2,2-TRIMETHYLHYDRAZINIUM)PROPIONATE DIHYDRATE PREPARATION GRINDEKS, A JOINT STOCK COMPANY (LV) 2009-08-27 — — WO disclosed
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