SCHEMBL11596017

SCHEMBL11596017

CC(=O)N(C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(C=O)CCCNC(=N)N

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 17/20 0.46
NPY1R P25929 10/20 0.46
NPY5R Q15761 9/20 0.46
NPY2R P49146 6/20 0.46
F2R P25116 1/20 0.35
KISS1R Q969F8 1/20 0.34

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
SCHEMBL2782827 1.00 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2RF2R
Hydrochloric Acid SCHEMBL11596923 0.99 NPY4R (0.45) NPY4RNPY1RNPY5RNPY2RF2R
SCHEMBL10936285 0.90 NPY4R (0.43) NPY4RNPY1RNPY5RNPY2R
Hydrochloric Acid SCHEMBL11300702 0.89 NPY4R (0.42) NPY4RNPY1RNPY5RNPY2R
SCHEMBL3308394 0.88 NPY4R (0.38) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL1683232 0.85 DPP7 (0.38)
SCHEMBL9495069 0.84 OPRK1 (0.38) NPY4RNPY1RNPY5RNPY2R
SCHEMBL7039378 0.83 SCN9A (0.32)
SCHEMBL9132175 0.81 NPY4R (0.42) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL7757841 0.80 FOLH1 (0.35)

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-4066507-A AEROBIC CULTURING STREPTOMYCES NIPPON KAYAKU KABUSHIKI KAISHA (JA) 1978-01-03 US disclosed