SCHEMBL7754416

SCHEMBL7754416

C[C@@H](C(=O)O)N(C(N)=O)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
SARM1 Q6SZW1 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
SIRT4 Q9Y6E7 1/20 0.45
HTT P42858 2/20 0.43
GAA P10253 3/20 0.42
ALDH1A1 P00352 3/20 0.42
APP P05067 1/20 0.42
HCAR3 P49019 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
TBXAS1 P24557 2/20 0.40
TSHR P16473 1/20 0.40
KCNA5 P22460 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL7769274 0.86 HTT (0.44) F7F3SARM1SIRT2SIRT6
SCHEMBL19305857 0.84 F7 (0.47) F7F3SARM1SIRT2SIRT6
SCHEMBL10576787 0.82 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4CYP2C19TRPM8
SCHEMBL27274107 0.82 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4CYP2C19TRPM8
SCHEMBL30895153 0.81 HTT (0.42) F7F3SARM1SIRT2SIRT6
SCHEMBL16876656 0.81 HTT (0.42) F7F3SARM1SIRT2SIRT6
SCHEMBL16585493 0.80 HTT (0.43) HTTGAAALDH1A1APPHCAR3
SCHEMBL16585492 0.80 HTT (0.43) HTTGAAALDH1A1APPHCAR3
SCHEMBL7156656 0.79 HTT (0.39) HTTGAAALDH1A1APPHCAR3
SCHEMBL31048871 0.79 HTT (0.39) HTTGAAALDH1A1APPHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1083170-A1 Method for producing D-(3'-Pyridyl)-alanine Degussa-Hüls Aktiengesellschaft (DE) 2001-03-14 EP claimed
JP-2001120295-A METHOD FOR PRODUCING D-(3'-PYRIDYL)-ALANINE DEGUSSA HUELS AG 2001-05-08 JP disclosed
EP-1083170-A1 Method for producing D-(3'-Pyridyl)-alanine Degussa-Hüls Aktiengesellschaft (DE) 2001-03-14 EP disclosed
EP-1083170-A1 Method for producing D-(3'-Pyridyl)-alanine Degussa-Hüls Aktiengesellschaft (DE) 2001-03-14 EP disclosed