Sugi Predict

Sugi Predict / Compounds / SCHEMBL29659700

SCHEMBL29659700

SCHEMBL29659700

C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 12/20 0.59
▸ GHSR Q92847 3/20 0.58
▸ NPY2R P49146 1/20 0.58
▸ KISS1R Q969F8 4/20 0.56

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
SCHEMBL29702300 1.00 IL23R (0.59) IL23RGHSRNPY2RKISS1R
SCHEMBL30101883 0.98 IL23R (0.58) IL23RGHSRNPY2RKISS1R
SCHEMBL30276247 0.97 IL23R (0.61) IL23R
SCHEMBL30276198 0.95 IL23R (0.59) IL23RGHSR
SCHEMBL29659604 0.95 IL23R (0.59) IL23RGHSR
SCHEMBL30276256 0.95 IL23R (0.60) IL23R
SCHEMBL30276262 0.94 IL23R (0.63) IL23R
SCHEMBL29659636 0.94 IL23R (0.63) IL23R
SCHEMBL30276227 0.94 IL23R (0.63) IL23R
SCHEMBL30743614 0.94 GHSR (0.59) IL23RGHSRKISS1R

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
EP-3166967-B1 SYNTHETIC SOMATOSTATIN RECEPTOR LIGANDS TEL HASHOMER MEDICAL RES INFRASTRUCTURE & SERVICES LTD (IL) 2023-03-08 — — EP claimed
US-20220162284-A1 SYNTHETIC SOMATOSTATIN RECEPTOR LIGANDS TEL HASHOMER MEDICAL RESEARCH INFRASTRUCTURE AND SERVICES LTD. (IL) 2022-05-26 — — US disclosed
Send feedback