SCHEMBL29774221

SCHEMBL29774221

C[C@H](NC(=O)CN(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 3/20 0.50
▸ CTSL P07711 3/20 0.48
▸ CTSS P25774 3/20 0.48
▸ CTSK P43235 3/20 0.48
▸ CTSH P09668 1/20 0.48
▸ GLP1R P43220 5/20 0.47
▸ CXCR4 P61073 4/20 0.46
▸ ERBB2 P04626 1/20 0.45
▸ NR3C1 P04150 1/20 0.44
▸ GRPR P30550 1/20 0.44

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
SCHEMBL29484310 0.92 CTSL (0.53) IL23RCTSLCTSSCTSKCTSH
SCHEMBL29740507 0.90 IL23R (0.48) IL23RCTSLCTSSCTSKCTSH
SCHEMBL30951030 0.90 CTSL (0.47) IL23RCTSLCTSSCTSKCTSH
SCHEMBL30183034 0.90 GLP1R (0.55) IL23RCTSLCTSSCTSKCTSH
SCHEMBL30354997 0.88 GRPR (0.47) IL23RCTSLCTSSCTSKCTSH
SCHEMBL29519330 0.87 CTSL (0.57) CTSLCTSSCTSKCTSHGLP1R
SCHEMBL30064553 0.87 GLP1R (0.58) IL23RGLP1RGRPR
SCHEMBL29489380 0.86 CTSL (0.53) IL23RCTSLCTSSCTSKCTSH
SCHEMBL30338573 0.86 GLP1R (0.54) IL23RCTSLCTSSCTSKCTSH
SCHEMBL30932143 0.85 GLP1R (0.60) GLP1RCXCR4

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
WO-2022235699-A2 POTENT ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF IMMUNOGLOBULINS AND OTHER PROTEINS AVILAR THERAPEUTICS, INC. (US) 2022-11-10 — — WO disclosed
WO-2022178594-A1 C-REACTIVE PROTEIN INHIBITORS Baker Heart and Diabetes Institute (AU) 2022-09-01 — — WO disclosed
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