SCHEMBL29850100

SCHEMBL29850100

N[C@@H](Cc1ccc2ccccc2c1)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.50
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
TACR1 P25103 1/20 0.43
MC4R P32245 5/20 0.42
MC3R P41968 5/20 0.42
MC5R P33032 2/20 0.42
OPRD1 P41143 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
PTPN1 P18031 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MC1R Q01726 3/20 0.39
EPHX1 P07099 1/20 0.39
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL29850264 1.00 DPP4 (0.50) DPP4HTR2AHTR2CHTR2BTACR1
SCHEMBL5691529 0.84 PKM (0.51) DPP4SLC1A3SLC1A2SLC1A1EPHX1
SCHEMBL27608702 0.84 PKM (0.51) DPP4SLC1A3SLC1A2SLC1A1EPHX1
SCHEMBL8431258 0.84 PKM (0.51) DPP4SLC1A3SLC1A2SLC1A1EPHX1
SCHEMBL29850361 0.83 TACR1 (0.61) TACR1MC4RMC3RMC1R
SCHEMBL2243756 0.80 SLC7A5 (0.51) DPP4
SCHEMBL2243752 0.80 SLC7A5 (0.51) DPP4
SCHEMBL31001590 0.80 LTA4H (0.54) DPP4
SCHEMBL1232652 0.79 KMT2A (0.45) HTR2CHTR2BMEN1KMT2AALDH1A1
SCHEMBL23315511 0.77 HTR2A (0.53) DPP4HTR2AHTR2CHTR2BTACR1

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
CN-114920804-A Sitrorelix synthesis process capable of being directly used for pilot amplification 厦门胜泽泰医药科技有限公司 2022-08-19 CN disclosed