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Sugi Predict / Compounds / SCHEMBL18854337

SCHEMBL18854337

SCHEMBL18854337

C#CC[C@H](NC(C)=O)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 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 1/20 0.56
▸ IL23R Q5VWK5 3/20 0.53
▸ GRPR P30550 10/20 0.52
▸ SLC2A1 P11166 2/20 0.50
▸ NR3C1 P04150 1/20 0.50
▸ GHSR Q92847 1/20 0.50
▸ REN P00797 1/20 0.50

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
SCHEMBL18857723 0.95 KISS1R (0.51) KISS1RIL23RGRPRSLC2A1NR3C1
SCHEMBL18854322 0.92 IL23R (0.60) KISS1RIL23RGRPRNR3C1GHSR
SCHEMBL18857750 0.86 IL23R (0.57) KISS1RIL23RGRPRSLC2A1NR3C1
SCHEMBL18862442 0.86 GHSR (0.56) GHSRREN
SCHEMBL18854323 0.86 GHSR (0.59) KISS1RGHSRREN
SCHEMBL18862462 0.85 REN (0.66) KISS1RGRPRREN
SCHEMBL18857406 0.85 CXCR4 (0.58) IL23RGRPR
SCHEMBL18854321 0.84 GRPR (0.50) KISS1RIL23RGRPR
SCHEMBL18854272 0.83 GRPR (0.49) KISS1RIL23RGRPR
SCHEMBL18854269 0.83 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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