SCHEMBL19791166

SCHEMBL19791166

N=C(N)NCCCC(NC(=O)CNC=O)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.54
▸ IL23R Q5VWK5 3/20 0.49
▸ NPBWR1 P48145 2/20 0.46
▸ CCKAR P32238 1/20 0.46
▸ CCKBR P32239 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ ACE P12821 2/20 0.46
▸ CXCR4 P61073 1/20 0.46
▸ MC4R P32245 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ KISS1R Q969F8 2/20 0.44

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
SCHEMBL19791176 1.00 PRMT1 (0.54) PRMT1IL23RNPBWR1CCKARCCKBR
SCHEMBL19791190 0.91 PRMT1 (0.56) PRMT1IL23RNPBWR1CCKARCCKBR
SCHEMBL19791188 0.89 PRMT1 (0.55) PRMT1IL23RNPBWR1CCKARCCKBR
SCHEMBL19791173 0.88 IL23R (0.58) PRMT1IL23RNPBWR1CXCR4MC4R
SCHEMBL20694561 0.86 PRMT1 (0.54) PRMT1NPBWR1CCKARCCKBROPRD1
SCHEMBL30372047 0.86 KISS1R (0.58) PRMT1IL23RNPBWR1CCKARCCKBR
SCHEMBL26421593 0.85 PRMT1 (0.55) PRMT1IL23RNPBWR1CCKARCCKBR
SCHEMBL30641906 0.84 PRMT1 (0.52) PRMT1NPBWR1CCKARCCKBROPRD1
SCHEMBL22803171 0.84 PRMT1 (0.54) PRMT1IL23RNPBWR1CCKARCCKBR
SCHEMBL29772708 0.83 PRMT1 (0.54) PRMT1NPBWR1OPRD1ACE

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-3272765-A1 PEPTIDE DERIVATIVE FOR REGULATING THYMIC STROMAL LYMPHOID PROTEIN-MEDIATED SIGNALING AND PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ALLERGY AND ASTHMA DISEASES COMPRISING SAME Korea University Research and Business Foundation, Sejong Campus (KR) 2018-01-24 — — EP disclosed
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