SCHEMBL6568258

SCHEMBL6568258

O=C1N[C@@H](Cc2ccccc2)C(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)O1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.45
MME P08473 3/20 0.44
OPRL1 P41146 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
NAALAD2 Q9Y3Q0 1/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ITGA4 P13612 1/20 0.41
MEN1 O00255 1/20 0.41
ACE P12821 2/20 0.41
CPA1 P15085 2/20 0.41
ACE2 Q9BYF1 2/20 0.41

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
SCHEMBL6568255 1.00 LMNA (0.46) LMNATDP1POLBMMEOPRL1
SCHEMBL7224758 1.00 LMNA (0.46) LMNATDP1POLBMMEOPRL1
SCHEMBL6568332 0.87 ITGA4 (0.47) ITGA4
SCHEMBL7222897 0.80 ACACB (0.43) LMNAOPRL1NPSR1KMT2AL3MBTL1
SCHEMBL5652297 0.78 OPRL1 (0.44) OPRL1
SCHEMBL7838610 0.78 OPRL1 (0.44) OPRL1
SCHEMBL6569671 0.78 OPRL1 (0.44) OPRL1
SCHEMBL10510512 0.75 CYP2D6 (0.47) TDP1OPRL1ITGA4
SCHEMBL5651677 0.75 CYP2D6 (0.47) TDP1OPRL1ITGA4
SCHEMBL13534726 0.75 CYP2D6 (0.47) TDP1OPRL1ITGA4

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
EP-1161416-B1 ALPHA-AMINOACETIC ACID DERIVATIVES USEFUL AS ALPHA 4 BETA 7 - RECEPTOR ANTAGONISTS ELAN PHARM INC (US) 2004-04-14 EP claimed