Oxitriptan

Oxitriptan

SCHEMBL30209795

NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O.NC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.88
BLM P54132 3/20 0.88
KDM4E B2RXH2 3/20 0.88
MAPT P10636 3/20 0.88
LMNA P02545 3/20 0.88
TSHR P16473 3/20 0.88
PMP22 Q01453 3/20 0.88
NFKB1 P19838 3/20 0.88
NPSR1 Q6W5P4 3/20 0.88
HTR1A P08908 2/20 0.88
HTR2A P28223 2/20 0.88
HTR2C P28335 2/20 0.88
HTR2B P41595 2/20 0.88
ALDH1A1 P00352 2/20 0.88
CYP3A4 P08684 1/20 0.88
ADORA3 P0DMS8 1/20 0.88
ALOX15 P16050 1/20 0.88
SLC6A4 P31645 1/20 0.88
HTR7 P34969 1/20 0.88
MTOR P42345 1/20 0.88

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
Oxitriptan SCHEMBL7721883 1.00 KMT2A (0.88) KMT2ABLMKDM4EMAPTLMNA
Oxitriptan SCHEMBL2721519 1.00 KMT2A (0.88) KMT2ABLMKDM4EMAPTLMNA
Oxitriptan SCHEMBL5921917 1.00 KMT2A (0.88) KMT2ABLMKDM4EMAPTLMNA
Oxitriptan SCHEMBL4063333 1.00 KMT2A (0.88) KMT2ABLMKDM4EMAPTLMNA
Oxitriptan SCHEMBL43242 0.94 NPSR1 (1.00) KMT2ABLMKDM4EMAPTLMNA
Oxitriptan SCHEMBL1421238 0.94 NPSR1 (1.00) KMT2ABLMKDM4EMAPTLMNA
Oxitriptan SCHEMBL21114382 0.94 NPSR1 (1.00) KMT2ABLMKDM4EMAPTLMNA
Oxitriptan SCHEMBL21114383 0.94 NPSR1 (1.00) KMT2ABLMKDM4EMAPTLMNA
Oxitriptan SCHEMBL3033706 0.94 NPSR1 (1.00) KMT2ABLMKDM4EMAPTLMNA
Oxitriptan SCHEMBL19871232 0.94 NPSR1 (1.00) KMT2ABLMKDM4EMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11628157-B2 Methods for compositions for reducing or eliminating symptoms of withdrawal from drugs and alcohol Longevity Healthcare Center (US) 2023-04-18 US disclosed
EP-4138809-A1 TREATMENT OF CONDITIONS ASSOCIATED WITH THYROID HORMONE Scott III, Linzy O. (US) 2023-03-01 EP disclosed