Alanine

Alanine

SCHEMBL9344287

C[C@H](N)C(=O)O.O=[N+]([O-])OCCC1CCNCC1

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.36
ITGA2B P08514 12/20 0.36
CPN1 P15169 2/20 0.36
CPB2 Q96IY4 2/20 0.36
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
ITGAV P06756 1/20 0.32
CHRM2 P08172 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
Glycine SCHEMBL9349017 0.85 ITGB3 (0.37) ITGB3ITGA2BCPN1CPB2MMP2
SCHEMBL8259490 0.84 MMP2 (0.38) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Isonipecotic Acid SCHEMBL9344171 0.82 GABRA5 (0.50) ITGB3ITGA2BCPN1CPB2MMP2
SCHEMBL9348784 0.82 ITGB3 (0.34) ITGB3ITGA2BMMP2MMP9PIM1
SCHEMBL9344311 0.80 ITGB3 (0.36) ITGB3ITGA2BMMP2MMP9GNAI3
Fumaric Acid SCHEMBL9345609 0.80 SLC6A4 (0.36) ITGB3ITGA2BMMP2MMP9PIM1
Fumaric Acid SCHEMBL9345604 0.80 SLC6A4 (0.36) ITGB3ITGA2BMMP2MMP9PIM1
SCHEMBL9344161 0.78 ITGB3 (0.43) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL9345623 0.77 GABRP (0.38) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Fumaric Acid SCHEMBL9348754 0.76 ITGB3 (0.37) ITGB3ITGA2BMMP2MMP9SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5280031-A Cyclic azaaliphatic compounds with a nitroxy function, processes for the preparation thereof and pharmaceutical compositions containing them BOEHRINGER MANNHEIM GMBH (DE) 1994-01-18 US disclosed
US-5030641-A Treatment of angina pectoris, hypotensive agents BOEHRINGER MANNHEIM GMBH (DE) 1991-07-09 US disclosed