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Sugi Predict / Compounds / SCHEMBL5129758

SCHEMBL5129758

SCHEMBL5129758

COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 19/20 0.65
▸ NPBWR1 P48145 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
SCHEMBL5128652 0.94 KISS1R (0.72) KISS1RNPBWR1
SCHEMBL5128677 0.93 KISS1R (0.69) KISS1RNPBWR1
SCHEMBL5132887 0.93 KISS1R (0.67) KISS1RNPBWR1
SCHEMBL3835661 0.93 KISS1R (0.67) KISS1RNPBWR1
SCHEMBL4132720 0.93 KISS1R (0.71) KISS1RNPBWR1
SCHEMBL5133165 0.93 KISS1R (0.66) KISS1RNPBWR1
SCHEMBL5129979 0.93 KISS1R (0.66) KISS1RNPBWR1
SCHEMBL5129840 0.92 KISS1R (0.65) KISS1RNPBWR1
SCHEMBL5131745 0.91 KISS1R (0.73) KISS1RNPBWR1
SCHEMBL6810491 0.91 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
US-8183212-B2 Compound having GPR54 agonistic activity KYOTO UNIVERSITY (JP) 2012-05-22 — — US disclosed