SCHEMBL21782740

SCHEMBL21782740

CC(C)NCCNCCNC(=O)C(C)CCCNC(=N)N

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 8/20 0.32
▸ NPY1R P25929 5/20 0.32
▸ NPY2R P49146 3/20 0.32
▸ NPY5R Q15761 3/20 0.32
▸ DPP7 Q9UHL4 2/20 0.32
▸ ALOX15 P16050 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ REN P00797 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ RRM1 P23921 1/20 0.30

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
SCHEMBL21782715 0.90 DPP7 (0.39) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL21782579 0.86 DPP7 (0.32) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL16263611 0.85 NPY4R (0.34) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL16263598 0.85 CACNA1B (0.36) NPY4RNPY1RNPY2RNPY5R
SCHEMBL21782662 0.82 DPP7 (0.41) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL21782577 0.82 PAOX (0.33) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL21782696 0.81 GNAI3 (0.41) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL16263607 0.78 SIRT6 (0.38) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL20169777 0.78 DPP7 (0.51) DPP7CNR1RRM1
SCHEMBL27354286 0.77 ALOX15 (0.37) NPY4RNPY1RNPY2RNPY5RDPP7

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-2753613-B1 DERIVATIVES OF XANTHONE COMPOUNDS AGENCY SCIENCE TECH & RES (SG) 2020-03-04 — — EP disclosed
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