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SCHEMBL29856153

SCHEMBL29856153

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.47
▸ VIPR1 P32241 3/20 0.46
▸ NPY4R P50391 5/20 0.42
▸ VIPR2 P41587 4/20 0.42
▸ NPY1R P25929 4/20 0.42
▸ NPY2R P49146 4/20 0.42
▸ NPY5R Q15761 4/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ GLP1R P43220 1/20 0.42
▸ GCGR P47871 1/20 0.42
▸ GIPR P48546 1/20 0.42

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
SCHEMBL29695589 0.91 TFPI (0.50) TFPIVIPR1VIPR2GLP1RGCGR
SCHEMBL29593786 0.91 VIPR1 (0.48) TFPIVIPR1VIPR2GLP1RGCGR
SCHEMBL30512593 0.91 VIPR1 (0.47) VIPR1VIPR2
SCHEMBL31462925 0.89 VIPR1 (0.51) TFPIVIPR1VIPR2GLP1RGCGR
SCHEMBL29473688 0.89 TFPI (0.51) TFPIVIPR1VIPR2GLP1RGCGR
SCHEMBL29965025 0.88 VIPR1 (0.56) TFPIVIPR1VIPR2BACE1GLP1R
SCHEMBL29637833 0.87 TFPI (0.46) TFPIVIPR1NPY4RNPY1RNPY2R
SCHEMBL31195329 0.87 VIPR1 (0.44) TFPIVIPR1VIPR2BACE1GLP1R
SCHEMBL29473680 0.87 TFPI (0.51) TFPIVIPR1VIPR2BACE1GLP1R
SCHEMBL29473651 0.87 VIPR1 (0.53) TFPIVIPR1VIPR2

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-2022136555-A9 IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2022-09-22 — — WO disclosed
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