SCHEMBL30276243

SCHEMBL30276243

N=C(N)NCCC[C@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 2/20 0.53
▸ KISS1R Q969F8 9/20 0.53
▸ IL23R Q5VWK5 1/20 0.52
▸ ACE P12821 1/20 0.52

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
SCHEMBL29511055 0.97 KISS1R (0.53) MC4RKISS1RACE
SCHEMBL29476104 0.97 KISS1R (0.53) MC4RKISS1RACE
SCHEMBL31184496 0.97 KISS1R (0.53) MC4RKISS1RACE
SCHEMBL30786983 0.97 KISS1R (0.53) MC4RKISS1RACE
SCHEMBL29476415 0.97 KISS1R (0.53) MC4RKISS1RACE
SCHEMBL30919241 0.94 KISS1R (0.55) MC4RKISS1R
SCHEMBL30919236 0.94 KISS1R (0.55) MC4RKISS1R
SCHEMBL29476649 0.94 MC4R (0.54) MC4RKISS1RACE
SCHEMBL29511119 0.94 MC4R (0.54) MC4RKISS1RACE
SCHEMBL30166970 0.94 MC4R (0.56) MC4RKISS1RIL23R

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
EP-3166967-B1 SYNTHETIC SOMATOSTATIN RECEPTOR LIGANDS TEL HASHOMER MEDICAL RES INFRASTRUCTURE & SERVICES LTD (IL) 2023-03-08 — — EP claimed
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