SCHEMBL17424445

SCHEMBL17424445

C=C(N)NCCC[C@H](NC(=O)[C@H](C)NC(=O)Cc1ccccc1)C(=O)N[C@@H](C)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.43
NPY1R P25929 3/20 0.43
NPY4R P50391 2/20 0.43
CTSL P07711 2/20 0.43
KISS1R Q969F8 3/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
FURIN P09958 1/20 0.41
POLB P06746 1/20 0.41
QRFPR Q96P65 1/20 0.41
CNR2 P34972 1/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRND Q07001 1/20 0.40
ATM Q13315 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40

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
SCHEMBL12035482 0.90 NPY4R (0.54) NPY5RNPY1RNPY4RCTSLKISS1R
SCHEMBL17424430 0.85 KISS1R (0.47) NPY5RNPY1RNPY4RKISS1RGRIN1
SCHEMBL17424377 0.84 KISS1R (0.57) NPY5RNPY1RNPY4RKISS1RFURIN
SCHEMBL7449318 0.82 POLB (0.54) POLBCNR2
SCHEMBL17424417 0.82 CA1 (0.46) NPY5RNPY1RNPY4RKISS1RFURIN
SCHEMBL17424378 0.82 KISS1R (0.57) NPY5RNPY1RNPY4RKISS1RFURIN
SCHEMBL17424441 0.82 NPY5R (0.42) NPY5RNPY1RNPY4RFURIN
SCHEMBL17424409 0.81 NPY4R (0.40) NPY5RNPY1RNPY4RFURINSIRT2
SCHEMBL17424420 0.81 NPY5R (0.43) NPY5RNPY1RNPY4RCTSLKISS1R
SCHEMBL17424369 0.80 SIRT5 (0.44) NPY5RNPY1RNPY4RKISS1RFURIN

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
US-9233086-B2 Inhibition of WDR5 interaction with its binding partners THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-01-12 US disclosed