SCHEMBL17424378

SCHEMBL17424378

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 4/20 0.57
FURIN P09958 1/20 0.53
GNPAT O15228 1/20 0.51
NPY4R P50391 8/20 0.49
NPY5R Q15761 6/20 0.49
NPY1R P25929 6/20 0.49
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
QRFPR Q96P65 1/20 0.48
NPY2R P49146 3/20 0.47
NPFFR1 Q9GZQ6 1/20 0.47
NPFFR2 Q9Y5X5 1/20 0.47
MMP1 P03956 1/20 0.44
FCER2 P06734 1/20 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
SCHEMBL17424377 0.90 KISS1R (0.57) KISS1RFURINGNPATNPY4RNPY5R
SCHEMBL12035324 0.90 NPY4R (0.60) KISS1RFURINGNPATNPY4RNPY5R
SCHEMBL17424417 0.88 CA1 (0.46) KISS1RFURINGNPATNPY4RNPY5R
SCHEMBL17424416 0.84 SIRT1 (0.45) KISS1RFURINGNPAT
SCHEMBL17424438 0.84 NPY1R (0.42) KISS1RFURINGNPATNPY4RNPY5R
SCHEMBL17424374 0.84 SIRT5 (0.46) KISS1RFURINNPY4RNPY5RNPY1R
SCHEMBL30045851 0.83 KISS1R (0.61) KISS1RGNPATNPY4RNPY5RNPY1R
SCHEMBL17424392 0.82 SIRT5 (0.47) KISS1RFURINNPY4RNPY5RNPY1R
SCHEMBL17424369 0.82 SIRT5 (0.44) KISS1RFURINNPY4RNPY5RNPY1R
SCHEMBL12792618 0.82 KISS1R (0.62) KISS1RGNPATNPY4RNPY5RNPY1R

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