Histidine

Histidine

SCHEMBL3492735

CC(C)C(N)C(=O)O.CC(N)C(=O)O.NC(Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.41
CYP3A4 P08684 1/20 0.38
CYP1A2 P05177 1/20 0.38
GRIA1 P42261 6/20 0.36
GRIA3 P42263 6/20 0.36
GRIA4 P48058 6/20 0.36
GRIA2 P42262 6/20 0.36
ALPI P09923 1/20 0.34
PKM P14618 1/20 0.34
PTGS1 P23219 1/20 0.34
XIAP P98170 1/20 0.34
GRIK5 Q16478 3/20 0.33
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
GRIK3 Q13003 2/20 0.33
GRIK4 Q16099 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
BLM P54132 2/20 0.33
KMT2A Q03164 2/20 0.33

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
Histidine SCHEMBL2728163 1.00 SLC7A5 (0.41) SLC7A5CYP3A4CYP1A2GRIA1GRIA3
Histidine SCHEMBL1537307 0.97 SLC7A5 (0.43) SLC7A5CYP3A4CYP1A2GRIA1GRIA3
Histidine SCHEMBL1061774 0.97 SLC7A5 (0.43) SLC7A5CYP3A4CYP1A2GRIA1GRIA3
Histidine SCHEMBL1061772 0.97 SLC7A5 (0.43) SLC7A5CYP3A4CYP1A2GRIA1GRIA3
Histidine SCHEMBL27486516 0.96 SLC7A5 (0.42) SLC7A5CYP3A4CYP1A2GRIA1GRIA3
Histidine SCHEMBL29225848 0.95 SLC7A5 (0.37) SLC7A5CYP3A4CYP1A2GRIA1GRIA3
Histidine SCHEMBL3457996 0.93 SLC7A5 (0.43) SLC7A5CYP3A4CYP1A2GRIA1GRIA3
Histidine SCHEMBL3335322 0.93 SLC7A5 (0.43) SLC7A5CYP3A4CYP1A2GRIA1GRIA3
Histidine SCHEMBL4610837 0.93 SLC7A5 (0.43) SLC7A5CYP3A4CYP1A2GRIA1GRIA3
Histidine SCHEMBL6724968 0.92 SLC7A5 (0.38) SLC7A5CYP3A4CYP1A2GRIA1GRIA3

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-9599603-B2 Methods and compositions for modulating adhesion and migration of cadherin expressing cells CASE WESTERN RESERVE UNIVERSITY (US) 2017-03-21 US disclosed
US-20100093602-A1 METHODS AND COMPOSITIONS FOR MODULATING ADHESION AND MIGRATION OF CADHERIN EXPRESSING CELLS BRADY-KALNAY SUSANN 2010-04-15 US disclosed