SCHEMBL10736617

SCHEMBL10736617

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.58
FAAH O00519 1/20 0.50
PTGS2 P35354 1/20 0.50
NPY1R P25929 3/20 0.49
NPY2R P49146 3/20 0.49
NPY4R P50391 3/20 0.49
CCKBR P32239 1/20 0.48
HTR1A P08908 2/20 0.48
NFKB1 P19838 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL24122290 0.87 ECE1 (0.60) NPY1RNPY2RNPY4RCCKBRKMT2A
SCHEMBL23501894 0.87 TRPV1 (0.64) TRPV1FAAHPTGS2HTR1ANFKB1
SCHEMBL23501893 0.87 TRPV1 (0.64) TRPV1FAAHPTGS2HTR1ANFKB1
SCHEMBL5525292 0.86 HTR1A (0.54) NPY1RNPY2RNPY4RHTR1ANFKB1
SCHEMBL28314855 0.84 TRPV1 (0.58) TRPV1FAAHPTGS2HTR1ANFKB1
SCHEMBL28314856 0.84 TRPV1 (0.58) TRPV1FAAHPTGS2HTR1ANFKB1
SCHEMBL9664181 0.83 MEN1 (0.64) CCKBRKDM4EALDH1A1KMT2AECE1
SCHEMBL9664229 0.83 MEN1 (0.62) CCKBRKDM4EALDH1A1KMT2AECE1
SCHEMBL9664767 0.83 MEN1 (0.62) CCKBRKDM4EALDH1A1KMT2AECE1
SCHEMBL9664095 0.83 MEN1 (0.62) CCKBRKDM4EALDH1A1KMT2AECE1

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-4658038-A N-acylated 5-hydroxytryptophan amide derivatives RESEARCH FOUNDATION FOR MENTAL HYGIENE, INC. (US) 1987-04-14 US disclosed
US-4482567-A N-hexanoyl to n-heptadecanoyl 5-hydroxy tryptophan-5-hydroxytryptophanamides and use as analgesics RESEARCH FOUNDATION FOR MENTAL HYGIENE, INC. (US) 1984-11-13 US disclosed
EP-0106281-A2 Analgesia-effecting 5-hydroxytryptophan derivatives YEDA RESEARCH AND DEVELOPMENT COMPANY, LTD. (IL) 1984-04-25 EP disclosed