SCHEMBL30037831

SCHEMBL30037831

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 9/20 0.63
▸ NTSR2 O95665 3/20 0.57
▸ NTSR1 P30989 3/20 0.57
▸ NPY4R P50391 7/20 0.55
▸ NPY1R P25929 5/20 0.55
▸ NPY2R P49146 5/20 0.55
▸ NPY5R Q15761 4/20 0.55
▸ SORT1 Q99523 2/20 0.53

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
SCHEMBL30342384 0.95 NTSR2 (0.62) KISS1RNTSR2NTSR1NPY4RNPY1R
SCHEMBL30030098 0.93 KISS1R (0.63) KISS1RNTSR2NTSR1NPY4RNPY1R
SCHEMBL30038033 0.92 KISS1R (0.61) KISS1RNTSR2NTSR1NPY4RNPY1R
SCHEMBL30038639 0.91 KISS1R (0.60) KISS1RNTSR2NTSR1NPY4RNPY1R
SCHEMBL29361392 0.88 KISS1R (0.60) KISS1R
SCHEMBL30844078 0.87 BACE1 (0.59) KISS1RNTSR2NTSR1
SCHEMBL29362467 0.87 NTSR2 (0.63) KISS1RNTSR2NTSR1NPY4RNPY1R
SCHEMBL30990788 0.84 NPY4R (0.66) KISS1RNTSR2NTSR1NPY4RNPY1R
SCHEMBL29447812 0.83 NTSR2 (0.69) KISS1RNTSR2NTSR1NPY4RNPY1R
SCHEMBL29770017 0.83 NTSR2 (0.68) KISS1RNTSR2NTSR1NPY4RNPY1R

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-4329827-A1 TARGETING SYSTEM FOR CANCER COMPRISING A RADIOISOTOPE Alphathera AG (CH) 2024-03-06 — — EP disclosed
WO-2022231424-A1 TARGETING SYSTEM FOR CANCER COMPRISING A RADIOISOTOPE ALPHATHERA AG (CH) 2022-11-03 — — WO disclosed
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