SCHEMBL2721523

SCHEMBL2721523

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(=O)[C@@H](N)Cc1c[nH]c2ccc(O)cc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 3/20 0.67
KMT2A Q03164 3/20 0.67
LMNA P02545 3/20 0.67
TSHR P16473 3/20 0.67
PMP22 Q01453 3/20 0.67
KDM4E B2RXH2 3/20 0.67
MAPT P10636 3/20 0.67
NFKB1 P19838 3/20 0.67
HTR1A P08908 3/20 0.67
HTR2A P28223 3/20 0.67
HTR2C P28335 3/20 0.67
HTR2B P41595 3/20 0.67
NPSR1 Q6W5P4 3/20 0.67
ALDH1A1 P00352 2/20 0.67
SLC6A4 P31645 2/20 0.67
HTR7 P34969 2/20 0.67
CYP3A4 P08684 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
ALOX15 P16050 1/20 0.67
MTOR P42345 1/20 0.67

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
SCHEMBL19357216 0.94 HTR2C (0.76) BLMKMT2ALMNATSHRPMP22
SCHEMBL475351 0.90 MAPT (0.74) BLMKMT2ALMNATSHRPMP22
SCHEMBL289044 0.90 MAPT (0.74) BLMKMT2ALMNATSHRPMP22
SCHEMBL10359013 0.88 TACR1 (0.62) BLMKMT2ALMNATSHRPMP22
SCHEMBL243575 0.88 TACR1 (0.62) BLMKMT2ALMNATSHRPMP22
Oxitriptan SCHEMBL30209795 0.88 KMT2A (0.88) BLMKMT2ALMNATSHRPMP22
Oxitriptan SCHEMBL4063333 0.88 KMT2A (0.88) BLMKMT2ALMNATSHRPMP22
Oxitriptan SCHEMBL2721519 0.88 KMT2A (0.88) BLMKMT2ALMNATSHRPMP22
Oxitriptan SCHEMBL7721883 0.88 KMT2A (0.88) BLMKMT2ALMNATSHRPMP22
Oxitriptan SCHEMBL5921917 0.88 KMT2A (0.88) BLMKMT2ALMNATSHRPMP22

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-2629615-A1 SLOW-RELEASE FORMULATIONS OF 5-HYDROXYTRYPTOPHAN AS AN ADJUNCT TO PRO-SEROTONERGIC THERAPIES Duke University (US) 2013-08-28 EP disclosed
WO-2012054815-A1 SLOW-RELEASE FORMULATIONS OF 5-HYDROXYTRYPTOPHAN AS AN ADJUNCT TO PRO-SEROTONERGIC THERAPIES DUKE UNIVERSITY (US) 2012-04-26 WO disclosed
EP-2028935-A2 ADMINISTRATION OF DOPA PRECURSORS WITH SOURCES OF DOPA TO EFFECTUATE OPTIMAL CATECHOLAMINE NEUROTRANSMITTER OUTCOMES Neuroresearch, Inc. (US) 2009-03-04 EP disclosed
WO-2007146174-A2 ADMINISTRATION OF DOPA PRECURSORS WITH SOURCES OF DOPA TO EFFECTUATE OPTIMAL CATECHOLAMINE NEUROTRANSMITTER OUTCOMES NEURORESEARCH, INC. (US) 2007-12-21 WO disclosed
US-20060040003-A1 Dietary supplement for supressing appetite, enhancing and extending satiety, improving glycemic control, and stimulant free NEEDLEMAN ALVIN 2006-02-23 US disclosed
EP-0074909-A1 Compositions on the basis of 5-hydroxy-tryptophane, manufacturing process and medicaments containing them S.A. PANMEDICA Société dite: (FR) 1983-03-23 EP disclosed