Phenylalanine

Phenylalanine

SCHEMBL7341867

NC(=O)CC[C@H](N)C(=O)OC(=O)[C@@H](N)Cc1c[nH]c2ccccc12.NCCCC[C@H](N)C(=O)Oc1ccc(C[C@H](N)C(=O)O)cc1.N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
MPO P05164 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
HIF1A Q16665 1/20 0.50
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
LTA4H P09960 1/20 0.48
PLA2G2A P14555 1/20 0.48
MC4R P32245 2/20 0.47
MC5R P33032 1/20 0.47
MC3R P41968 1/20 0.47
GHSR Q92847 8/20 0.45
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43

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
Tryptophan SCHEMBL7341872 0.85 KMT2A (0.57) MEN1KMT2AKDM4ELMNAMPO
Dl-Tryptophan SCHEMBL7341866 0.85 KMT2A (0.57) MEN1KMT2AKDM4ELMNAMPO
Phenylalanine SCHEMBL10381280 0.85 KMT2A (0.70) MEN1KMT2AKDM4ELMNAMPO
SCHEMBL1239230 0.85 MEN1 (0.59) MEN1KMT2AKDM4ELMNAMPO
SCHEMBL6032937 0.84 KMT2A (0.71) MEN1KMT2AKDM4ELMNAMPO
SCHEMBL597229 0.84 KMT2A (0.71) MEN1KMT2AKDM4ELMNAMPO
Tryptophan SCHEMBL8508161 0.84 GHSR (0.46) MEN1KMT2AKDM4ELMNAMPO
Valine SCHEMBL8434539 0.83 GHSR (0.43) MEN1KMT2AKDM4ELMNAMPO
Valine SCHEMBL8584754 0.83 GHSR (0.43) MEN1KMT2AKDM4ELMNAMPO
Dl-Tryptophan SCHEMBL21219049 0.82 KMT2A (0.71) MEN1KMT2AKDM4ELMNAMPO

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
WO-2003084465-A2 MODELING BIOLOGICAL SYSTEMS SRI INTERNATIONAL, INC. (US) 2003-10-16 WO disclosed