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SCHEMBL28848545

SCHEMBL28848545

N=C(N)NCCCC(N)C(=O)NCC(=O)NC(Cc1ccccc1)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 13/20 0.55
▸ NPY1R P25929 7/20 0.55
▸ NPY5R Q15761 6/20 0.55
▸ NPY2R P49146 5/20 0.55
▸ OPRD1 P41143 4/20 0.49
▸ OPRM1 P35372 3/20 0.49
▸ QRFPR Q96P65 1/20 0.49
▸ OPRK1 P41145 1/20 0.47

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
SCHEMBL31122216 0.94 OPRD1 (0.49) NPY4RNPY1RNPY5RNPY2ROPRD1
SCHEMBL29630726 0.92 OPRD1 (0.51) NPY4RNPY1RNPY5RNPY2ROPRD1
SCHEMBL1373207 0.90 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2R
SCHEMBL1373212 0.90 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29592498 0.90 OPRD1 (0.49) NPY4RNPY1RNPY5RNPY2ROPRD1
SCHEMBL29590346 0.90 OPRD1 (0.49) NPY4RNPY1RNPY5RNPY2ROPRD1
Hydrochloric Acid SCHEMBL9574199 0.89 NPY4R (0.63) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29447207 0.89 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2RQRFPR
SCHEMBL29630456 0.88 QRFPR (0.51) NPY4RNPY1RNPY5RNPY2ROPRD1
SCHEMBL31637483 0.87 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2ROPRD1

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
CN-104447951-B Insect allatotropin antagonist and application thereof 上海应用技术学院 2017-07-18 — — CN disclosed