SCHEMBL19357216

SCHEMBL19357216

N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)OC(=O)[C@@H](N)Cc1c[nH]c2ccc(O)cc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.76
NPSR1 Q6W5P4 5/20 0.76
HTR1A P08908 4/20 0.76
HTR2A P28223 4/20 0.76
HTR2B P41595 4/20 0.76
BLM P54132 4/20 0.76
TSHR P16473 4/20 0.76
MAPT P10636 4/20 0.76
NFKB1 P19838 3/20 0.76
LMNA P02545 3/20 0.76
PMP22 Q01453 3/20 0.76
ALDH1A1 P00352 3/20 0.76
KMT2A Q03164 3/20 0.76
CYP3A4 P08684 3/20 0.76
KDM4E B2RXH2 3/20 0.76
HTR7 P34969 2/20 0.76
ADORA3 P0DMS8 1/20 0.76
ALOX15 P16050 1/20 0.76
SLC6A4 P31645 1/20 0.76
MTOR P42345 1/20 0.76

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
SCHEMBL2721523 0.94 BLM (0.67) HTR2CNPSR1HTR1AHTR2AHTR2B
SCHEMBL3658151 0.91 HTR2C (0.67) HTR2CNPSR1HTR1AHTR2AHTR2B
SCHEMBL471920 0.90 NPSR1 (0.72) HTR2CNPSR1HTR1AHTR2AHTR2B
SCHEMBL6775810 0.90 NPSR1 (0.72) HTR2CNPSR1HTR1AHTR2AHTR2B
Hydrochloric Acid SCHEMBL5123328 0.88 NPSR1 (0.70) HTR2CNPSR1HTR1AHTR2AHTR2B
Hydrochloric Acid SCHEMBL471919 0.88 NPSR1 (0.70) HTR2CNPSR1HTR1AHTR2AHTR2B
SCHEMBL10407437 0.88 NPSR1 (0.70) HTR2CNPSR1HTR1AHTR2AHTR2B
SCHEMBL816987 0.88 NPSR1 (0.70) HTR2CNPSR1HTR1AHTR2AHTR2B
Hydrochloric Acid SCHEMBL818356 0.87 NPSR1 (0.69) HTR2CNPSR1HTR1AHTR2AHTR2B
SCHEMBL10900257 0.87 NPSR1 (0.73) HTR2CNPSR1HTR1AHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3429611-B1 POLYCOMPLEXES OF POLY-LYSINE COMPOUNDS FOR PREVENTING AND/OR COMBATTING AMYOTROPHIC LATERAL SCLEROSIS PLL THERAPEUTICS (FR) 2023-06-07 EP claimed
EP-3429611-A1 POLYCOMPLEXES OF POLY-LYSINE COMPOUNDS FOR PREVENTING AND/OR COMBATTING AMYOTROPHIC LATERAL SCLEROSIS Gemac (FR) 2019-01-23 EP claimed
WO-2017157952-A1 POLYCOMPLEXES OF POLY-LYSINE COMPOUNDS FOR PREVENTING AND/OR COMBATTING AMYOTROPHIC LATERAL SCLEROSIS GEFFARD MICHEL (FR) 2017-09-21 WO claimed
EP-3429611-B1 POLYCOMPLEXES OF POLY-LYSINE COMPOUNDS FOR PREVENTING AND/OR COMBATTING AMYOTROPHIC LATERAL SCLEROSIS PLL THERAPEUTICS (FR) 2023-06-07 EP disclosed
EP-3429611-A1 POLYCOMPLEXES OF POLY-LYSINE COMPOUNDS FOR PREVENTING AND/OR COMBATTING AMYOTROPHIC LATERAL SCLEROSIS Gemac (FR) 2019-01-23 EP disclosed
WO-2017157952-A1 POLYCOMPLEXES OF POLY-LYSINE COMPOUNDS FOR PREVENTING AND/OR COMBATTING AMYOTROPHIC LATERAL SCLEROSIS GEFFARD MICHEL (FR) 2017-09-21 WO disclosed