SCHEMBL31141456

SCHEMBL31141456

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 16/20 0.70
▸ NPBWR1 P48145 4/20 0.68

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
SCHEMBL31141454 0.98 KISS1R (0.73) KISS1RNPBWR1
SCHEMBL31141468 0.98 KISS1R (0.73) KISS1RNPBWR1
SCHEMBL31141444 0.98 NPBWR1 (0.70) KISS1RNPBWR1
SCHEMBL29379050 0.95 KISS1R (0.77) KISS1R
Kisspeptin-10 SCHEMBL29376534 0.95 KISS1R (0.77) KISS1R
SCHEMBL17345398 0.95 KISS1R (0.77) KISS1R
Kisspeptin-10 SCHEMBL15930211 0.95 KISS1R (0.77) KISS1R
SCHEMBL30530852 0.95 KISS1R (0.77) KISS1R
Kisspeptin-10 SCHEMBL20865531 0.95 KISS1R (0.77) KISS1R
SCHEMBL31141446 0.95 KISS1R (0.69) KISS1RNPBWR1

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-2024206577-A1 KISSPEPTIN RECEPTOR (KISS1R) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY, INC. (US) 2024-10-03 — — WO claimed
WO-2024206577-A1 KISSPEPTIN RECEPTOR (KISS1R) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY, INC. (US) 2024-10-03 — — WO disclosed
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