SCHEMBL9848425

SCHEMBL9848425

N[C@@H](Cc1ccccc1)C(=O)N(C[C]=O)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
MC4R P32245 1/20 0.45
MC5R P33032 1/20 0.45
MC3R P41968 1/20 0.45
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
DPP4 P27487 3/20 0.43
DPP8 Q6V1X1 2/20 0.43
DPP9 Q86TI2 2/20 0.43
DPP7 Q9UHL4 2/20 0.43
AGER Q15109 3/20 0.43
MTNR1A P48039 1/20 0.43
FAP Q12884 1/20 0.41
CTSC P53634 1/20 0.40
SLC15A1 P46059 1/20 0.40
OPRD1 P41143 1/20 0.39
HDAC8 Q9BY41 2/20 0.39

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
SCHEMBL26954878 0.85 L3MBTL1 (0.60) L3MBTL1MC4RMC5RMC3RALPI
SCHEMBL11122774 0.83 ACE (0.48) L3MBTL1MC4RMC5RMC3RALPI
SCHEMBL13898950 0.81 ALPI (0.51) L3MBTL1MC4RMC5RMC3RALPI
SCHEMBL8294303 0.76 F2 (0.52) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL29635014 0.71 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL22674760 0.71 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL22674759 0.71 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL21297195 0.71 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
Dl-Phenylalanine SCHEMBL27841330 0.70 SLC7A5 (0.69) ALPIPKMPTGS1XIAPSLC7A5
Dl-Phenylalanine SCHEMBL25221060 0.70 SLC7A5 (0.88) ALPIPKMPTGS1XIAPSLC7A5

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-0428849-A2 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-29 EP disclosed