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Sugi Predict / Compounds / SCHEMBL18854322

SCHEMBL18854322

SCHEMBL18854322

CC(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 8/20 0.60
▸ KISS1R Q969F8 1/20 0.56
▸ GRPR P30550 6/20 0.55
▸ GHSR Q92847 2/20 0.52
▸ REN P00797 1/20 0.52
▸ NR3C1 P04150 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
SCHEMBL18857750 0.94 IL23R (0.57) IL23RKISS1RGRPRNR3C1
SCHEMBL18854337 0.92 KISS1R (0.56) IL23RKISS1RGRPRGHSRREN
SCHEMBL18857406 0.92 CXCR4 (0.58) IL23RGRPR
SCHEMBL18862442 0.88 GHSR (0.56) GHSRREN
SCHEMBL18854331 0.88 GHSR (0.56) GRPRGHSRREN
SCHEMBL18857723 0.87 KISS1R (0.51) IL23RKISS1RGRPRNR3C1
SCHEMBL18854323 0.87 GHSR (0.59) KISS1RGHSRREN
SCHEMBL18854321 0.86 GRPR (0.50) IL23RKISS1RGRPR
SCHEMBL18854272 0.85 GRPR (0.49) IL23RKISS1RGRPR
SCHEMBL18854269 0.84 GHSR (0.60) GRPRGHSRREN

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017083368-A9 TISSUE-SPECIFIC GENOME ENGINEERING USING CRISPR-CAS9 PFIZER INC. (US) 2018-04-12 — — WO disclosed
WO-2017083368-A1 TISSUE-SPECIFIC GENOME ENGINEERING USING CRISPR-CAS9 PFIZER INC. (US) 2017-05-18 — — WO disclosed
US-20170137801-A1 TISSUE-SPECIFIC GENOME ENGINEERING USING CRISPR-CAS9 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-05-18 — — US disclosed
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