SCHEMBL31141447

SCHEMBL31141447

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)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)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 2/20 0.66
▸ KISS1R Q969F8 16/20 0.66
▸ OPRD1 P41143 2/20 0.63
▸ CCKAR P32238 1/20 0.63
▸ CCKBR P32239 1/20 0.63
▸ OPRM1 P35372 1/20 0.62

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
SCHEMBL31141448 0.98 KISS1R (0.69) NPBWR1KISS1R
SCHEMBL31141460 0.95 KISS1R (0.72) KISS1R
SCHEMBL30530898 0.94 KISS1R (0.71) KISS1R
SCHEMBL31141449 0.94 KISS1R (0.73) KISS1R
SCHEMBL29595673 0.93 GLP1R (0.64) NPBWR1KISS1ROPRD1CCKARCCKBR
SCHEMBL31141446 0.93 KISS1R (0.69) NPBWR1KISS1R
Kisspeptin-10 SCHEMBL15930211 0.92 KISS1R (0.77) KISS1R
Kisspeptin-10 SCHEMBL20865531 0.92 KISS1R (0.77) KISS1R
SCHEMBL30530852 0.92 KISS1R (0.77) KISS1R
Kisspeptin-10 SCHEMBL29376534 0.92 KISS1R (0.77) KISS1R

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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