SCHEMBL30038033

SCHEMBL30038033

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 12/20 0.61
▸ GRIN2D O15399 1/20 0.52
▸ GRIN3B O60391 1/20 0.52
▸ GRIN1 Q05586 1/20 0.52
▸ GRIN2A Q12879 1/20 0.52
▸ GRIN2B Q13224 1/20 0.52
▸ GRIN2C Q14957 1/20 0.52
▸ GRIN3A Q8TCU5 1/20 0.52
▸ TFPI P10646 1/20 0.51
▸ NPY4R P50391 4/20 0.51
▸ NPY1R P25929 3/20 0.51
▸ NPY2R P49146 3/20 0.51
▸ NPY5R Q15761 3/20 0.51
▸ NTSR2 O95665 1/20 0.51
▸ NTSR1 P30989 1/20 0.51

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
SCHEMBL30038639 0.94 KISS1R (0.60) KISS1RGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30037831 0.92 KISS1R (0.63) KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL30030098 0.88 KISS1R (0.63) KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL30320514 0.88 TFPI (0.59) KISS1RTFPI
SCHEMBL30622617 0.87 KISS1R (0.54) KISS1RTFPINPY4RNPY1RNPY2R
SCHEMBL30038873 0.87 NPY4R (0.57) KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL30342384 0.87 NTSR2 (0.62) KISS1RNPY4RNPY1RNPY2RNTSR2
SCHEMBL31114997 0.86 NPY4R (0.58) KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL30277898 0.84 VIPR2 (0.56) KISS1RNTSR2NTSR1
SCHEMBL30037959 0.84 NPY4R (0.61) KISS1RNPY4RNPY1RNPY2RNPY5R

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 claimed
WO-2022231424-A1 TARGETING SYSTEM FOR CANCER COMPRISING A RADIOISOTOPE ALPHATHERA AG (CH) 2022-11-03 — — WO claimed
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