Alanine

Alanine

SCHEMBL5219005

C[C@H](N)C(=O)O.O=C(O)CNC1CCCCC1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.44
ERAP2 Q6P179 2/20 0.44
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
METAP1 P53582 1/20 0.41
KDM4E B2RXH2 3/20 0.40
POLB P06746 1/20 0.40
EPHX1 P07099 2/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
DPP4 P27487 2/20 0.38
FAP Q12884 2/20 0.38
DPP7 Q9UHL4 2/20 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
Leucine SCHEMBL6882071 0.86 SLC7A5 (0.53) ANPEPERAP2LMNACYP1A2CYP2D6
SCHEMBL18920966 0.85 METAP1 (0.44) ANPEPERAP2LMNACYP1A2CYP2D6
SCHEMBL250459 0.85 ALDH1A1 (0.50) KDM4EPOLBEPHX1ALDH1A1SMN1; SMN2
SCHEMBL122347 0.85 ALDH1A1 (0.50) KDM4EPOLBEPHX1ALDH1A1SMN1; SMN2
SCHEMBL163395 0.85 ALDH1A1 (0.50) KDM4EPOLBEPHX1ALDH1A1SMN1; SMN2
SCHEMBL173401 0.85 ALDH1A1 (0.50) KDM4EPOLBEPHX1ALDH1A1SMN1; SMN2
SCHEMBL201078 0.85 ALDH1A1 (0.50) KDM4EPOLBEPHX1ALDH1A1SMN1; SMN2
SCHEMBL159315 0.85 ALDH1A1 (0.50) KDM4EPOLBEPHX1ALDH1A1SMN1; SMN2
SCHEMBL28833359 0.85 ALDH1A1 (0.50) KDM4EPOLBEPHX1ALDH1A1SMN1; SMN2
Cyclohexylglycyl SCHEMBL1256626 0.85 DPP4 (0.42) ANPEPERAP2KDM4EALDH1A1MEN1

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
EP-1836201-A1 PYRROLIDINE INHIBITORS OF IAP Genentech, Inc. (US) 2007-09-26 EP disclosed
WO-2006069063-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2006-06-29 WO disclosed