SCHEMBL21883428

SCHEMBL21883428

CC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)CN

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 5/20 0.55
NPY4R P50391 7/20 0.49
NPY5R Q15761 6/20 0.49
NPY1R P25929 5/20 0.49
NPY2R P49146 3/20 0.49
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
OPRD1 P41143 5/20 0.46
OPRM1 P35372 4/20 0.46
OPRK1 P41145 1/20 0.46
CHRNA1 P02708 1/20 0.46
CHRNG P07510 1/20 0.46
CHRNB1 P11230 1/20 0.46
CHRND Q07001 1/20 0.46

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
SCHEMBL30121028 0.89 QRFPR (0.56) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL29590985 0.89 QRFPR (0.56) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL29591802 0.89 QRFPR (0.54) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL29590479 0.88 QRFPR (0.53) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL24713048 0.87 QRFPR (0.53) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL29630348 0.87 QRFPR (0.53) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL29624352 0.87 NPY4R (0.57) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL29590419 0.87 QRFPR (0.60) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL31462118 0.86 QRFPR (0.62) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL30692729 0.85 GNPAT (0.54) QRFPRNPY4RNPY5RNPY1RNPY2R

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-2020056249-A1 ORAL FORMULATIONS OF KAPPA OPIOID RECEPTOR AGONISTS CARA THERAPEUTICS, INC. (US) 2020-03-19 WO disclosed