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SCHEMBL18857392

SCHEMBL18857392

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

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 3/20 0.64
▸ GRPR P30550 16/20 0.61
▸ MC4R P32245 1/20 0.57

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
SCHEMBL18857406 0.91 CXCR4 (0.58) CXCR4GRPR
SCHEMBL18857385 0.85 GRPR (0.56) CXCR4GRPR
SCHEMBL18857383 0.84 CXCR4 (0.52) CXCR4GRPR
SCHEMBL18854274 0.83 GRPR (0.53) CXCR4GRPR
SCHEMBL18854327 0.82 REN (0.55) CXCR4GRPRMC4R
SCHEMBL18854269 0.82 GHSR (0.60) GRPR
SCHEMBL18854322 0.82 IL23R (0.60) GRPR
SCHEMBL18854337 0.81 KISS1R (0.56) GRPR
SCHEMBL18854323 0.80 GHSR (0.59) —
SCHEMBL18857750 0.79 IL23R (0.57) GRPR

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
WO-2017083368-A1 TISSUE-SPECIFIC GENOME ENGINEERING USING CRISPR-CAS9 PFIZER INC. (US) 2017-05-18 — — WO disclosed
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