SCHEMBL29618977

SCHEMBL29618977

CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 1/20 0.48
▸ ERAP1 Q9NZ08 1/20 0.48
▸ LNPEP Q9UIQ6 1/20 0.48
▸ CPB2 Q96IY4 7/20 0.47
▸ FOLH1 Q04609 3/20 0.46
▸ OPRK1 P41145 2/20 0.46
▸ NMT2 O60551 1/20 0.46
▸ NMT1 P30419 1/20 0.46
▸ NPY1R P25929 1/20 0.45
▸ NPY2R P49146 1/20 0.45
▸ NPY4R P50391 1/20 0.45
▸ MME P08473 2/20 0.42
▸ GSR P00390 1/20 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
SCHEMBL29630341 0.99 ERAP2 (0.47) ERAP2ERAP1LNPEPCPB2FOLH1
SCHEMBL29473878 0.96 NMT2 (0.47) ERAP2ERAP1LNPEPCPB2FOLH1
SCHEMBL29462935 0.95 ERAP2 (0.45) ERAP2ERAP1LNPEPCPB2FOLH1
SCHEMBL30478747 0.95 NMT2 (0.49) ERAP2ERAP1LNPEPCPB2FOLH1
SCHEMBL29378561 0.95 NMT2 (0.48) ERAP2ERAP1LNPEPCPB2FOLH1
SCHEMBL29592591 0.92 NMT1 (0.52) ERAP2ERAP1LNPEPCPB2FOLH1
SCHEMBL31343172 0.92 NPY4R (0.52) ERAP2ERAP1LNPEPCPB2FOLH1
SCHEMBL29714947 0.92 ERAP2 (0.55) ERAP2ERAP1LNPEPCPB2FOLH1
SCHEMBL30785147 0.92 ERAP2 (0.55) ERAP2ERAP1LNPEPCPB2FOLH1
SCHEMBL29404079 0.92 NPY4R (0.52) ERAP2ERAP1LNPEPCPB2FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4237445-A2 COMPOSITIONS AND METHODS FOR PREVENTING, INHIBITING, DISRUPTING, OR TREATING A POLYMICROBIAL BIOFILM Research Institute at Nationwide Children's Hospital (US) 2023-09-06 — — EP disclosed
CN-116490778-A Compositions and methods for preventing, inhibiting, disrupting or treating a multi-microbial biofilm 国家儿童医院研究所 2023-07-25 — — CN disclosed
CN-116096239-A Combination therapy for the treatment and prevention of biological membranes 国家儿童医院研究所 2023-05-09 — — CN disclosed
WO-2022094433-A2 COMPOSITIONS AND METHODS FOR PREVENTING, INHIBITING, DISRUPTING, OR TREATING A POLYMICROBIAL BIOFILM RESEARCH INSTITUTE AT NATIONWIDE CHILDREN'S HOSPITAL (US) 2022-05-05 — — WO disclosed
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