SCHEMBL9965330

SCHEMBL9965330

O=C(O)CCC(NC(=O)N[C@@H](CCc1nnn[nH]1)C(=O)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 11/20 0.61
FOLH1 Q04609 8/20 0.57
RIMKLA Q8IXN7 1/20 0.57

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
SCHEMBL19209753 1.00 NAALAD2 (0.61) NAALAD2FOLH1RIMKLA
SCHEMBL12145775 1.00 NAALAD2 (0.61) NAALAD2FOLH1RIMKLA
SCHEMBL18020500 1.00 NAALAD2 (0.61) NAALAD2FOLH1RIMKLA
SCHEMBL14102950 0.93 NAALAD2 (0.56) NAALAD2FOLH1RIMKLA
SCHEMBL24067489 0.90 NAALAD2 (0.51) NAALAD2FOLH1RIMKLA
SCHEMBL12654764 0.90 NAALAD2 (0.51) NAALAD2FOLH1RIMKLA
SCHEMBL12290996 0.90 NAALAD2 (0.49) NAALAD2FOLH1RIMKLA
SCHEMBL11936628 0.88 NAALAD2 (0.49) NAALAD2FOLH1RIMKLA
SCHEMBL4143856 0.88 NAALAD2 (0.49) NAALAD2FOLH1RIMKLA
SCHEMBL12145035 0.86 NAALAD2 (0.47) NAALAD2FOLH1RIMKLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3858347-A2 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING Purdue Research Foundation (US) 2021-08-04 EP disclosed
EP-3838298-A2 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING Purdue Research Foundation (US) 2021-06-23 EP disclosed
EP-3831380-A2 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING Purdue Research Foundation (US) 2021-06-09 EP disclosed
EP-3656403-A1 PREPARATION PROCESS OF PSMA BINDING LIGAND-LINKER CONJUGATES Purdue Research Foundation (US) 2020-05-27 EP disclosed
WO-2012082903-A2 TREATMENT OF COGNITIVE IMPAIRMENT IN A SUBJECT WITH A NEUROLOGICAL AUTOIMMUNE DISEASE THE JOHNS HOPKINS UNIVERSITY (US) 2012-06-21 WO disclosed