SCHEMBL18567232

SCHEMBL18567232

CC(=O)[C@@H](N)CC1=CCCC=C1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.31
PKM P14618 1/20 0.31
PTGS1 P23219 1/20 0.31
XIAP P98170 1/20 0.31
SLC7A5 Q01650 1/20 0.31

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
SCHEMBL22652556 0.84
SCHEMBL3504346 0.84 SLC7A5 (0.43) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL879605 0.84 SLC7A5 (0.43) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL24538484 0.84 SLC7A5 (0.32) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL23869542 0.77
SCHEMBL10161458 0.76 EPHX1 (0.31)
SCHEMBL26077857 0.76 TAAR1 (0.34)
SCHEMBL8973472 0.76 TAAR1 (0.34)
SCHEMBL12153681 0.74 APAF1 (0.33)
SCHEMBL12831690 0.72 NAMPT (0.30)

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-2788359-B1 COMPOSITION AND METHOD FOR NEUROPEPTIDE S RECEPTOR (NPSR) ANTAGONISTS RES TRIANGLE INST (US) 2017-03-01 EP disclosed