SCHEMBL21067757

SCHEMBL21067757

N[C@H](Cc1ccccc1)C(=O)N(Cc1ccccc1)C(=O)[C@@H]1CCCN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.47
GHSR Q92847 6/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
DPP4 P27487 3/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP9 Q86TI2 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
SCN4A P35499 1/20 0.40
MC4R P32245 1/20 0.39
MC5R P33032 1/20 0.39
MC3R P41968 1/20 0.39
FAP Q12884 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
SLC15A1 P46059 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL27544516 0.91 CTSC (0.41) CTSCGHSRMC4RMC5RMC3R
Hydrochloric Acid SCHEMBL27584408 0.90 F2 (0.41) CTSCGHSRMC4RMC5RMC3R
SCHEMBL21067717 0.90 GHSR (0.49) CTSCGHSRSCN4AREN
SCHEMBL21067747 0.90 GHSR (0.49) CTSCGHSR
SCHEMBL21067420 0.90 DPP4 (0.43) CTSCGHSRPKMDPP4DPP8
SCHEMBL10791037 0.90 CTSC (0.47) CTSCGHSRALPIPKMPTGS1
SCHEMBL27394991 0.83 SCN4A (0.48) CTSCGHSRSCN4AHTR2CHTR2B
D-Phenylalanine SCHEMBL2184336 0.78 SLC7A5 (0.59) CTSCALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL2478802 0.78 SLC7A5 (0.59) CTSCALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL498385 0.78 SLC7A5 (0.59) CTSCALPIPKMPTGS1XIAP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed