Sugi Predict

Sugi Predict / Compounds / SCHEMBL2494516

SCHEMBL2494516

SCHEMBL2494516

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 14/20 0.73
▸ NPBWR1 P48145 2/20 0.71
▸ NPY4R P50391 4/20 0.59
▸ NPY1R P25929 3/20 0.59
▸ NPY5R Q15761 3/20 0.59
▸ NPY2R P49146 1/20 0.59

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
SCHEMBL349141 0.94 KISS1R (0.76) KISS1RNPBWR1
SCHEMBL5128652 0.91 KISS1R (0.72) KISS1RNPBWR1
SCHEMBL26167049 0.90 NPBWR1 (0.68) KISS1RNPBWR1
SCHEMBL26167065 0.89 NPBWR1 (0.67) KISS1RNPBWR1
SCHEMBL5128378 0.89 KISS1R (0.67) KISS1RNPBWR1
SCHEMBL5128677 0.88 KISS1R (0.69) KISS1RNPBWR1
SCHEMBL5131757 0.88 KISS1R (0.82) KISS1RNPBWR1
SCHEMBL5132887 0.88 KISS1R (0.67) KISS1RNPBWR1
SCHEMBL5132041 0.88 KISS1R (0.66) KISS1RNPBWR1
SCHEMBL3835661 0.88 KISS1R (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379053-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR CANCER Takeda Pharmaceutical Company Limited (JP) 2011-10-26 — — EP disclosed