SCHEMBL9507196

SCHEMBL9507196

NCC[C@@H]1CCC[C@H](OC(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.35
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
TPSAB1 Q15661 6/20 0.32
TPSD1 Q9BZJ3 6/20 0.32
TPSG1 Q9NRR2 6/20 0.32
CYP2D6 P10635 1/20 0.31
ALOX5 P09917 1/20 0.31
ANPEP P15144 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
EPHX1 P07099 1/20 0.30

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
SCHEMBL9505571 1.00 SERPINE1 (0.35) SERPINE1SLC1A3SLC1A2SLC1A1TPSAB1
SCHEMBL9505573 0.86 CYP2D6 (0.40) SERPINE1SLC1A3SLC1A2SLC1A1TPSAB1
SCHEMBL9504357 0.86 CYP2D6 (0.40) SERPINE1SLC1A3SLC1A2SLC1A1TPSAB1
SCHEMBL9504427 0.78 PLG (0.36) SERPINE1SLC1A3SLC1A2SLC1A1TPSAB1
SCHEMBL9506245 0.78 PLG (0.36) SERPINE1SLC1A3SLC1A2SLC1A1TPSAB1
SCHEMBL1530972 0.77 SERPINE1 (0.46) SERPINE1CHRM2CHRM1CHRM3EPHX1
SCHEMBL29845 0.77 SERPINE1 (0.46) SERPINE1CHRM2CHRM1CHRM3EPHX1
SCHEMBL541855 0.77 SERPINE1 (0.46) SERPINE1CHRM2CHRM1CHRM3EPHX1
SCHEMBL9504414 0.73 ANPEP (0.54) ANPEP
SCHEMBL9504422 0.73 ANPEP (0.54) ANPEP

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
EP-0329105-B1 MOLECULAR WEIGHT CONTROLLER FOR POLYMERIZATION OF LACTAMS TO POLYAMIDES BASF Corporation (US) 1993-07-07 EP claimed