SCHEMBL9536748

SCHEMBL9536748

NCC(C(=O)O)c1c[nH]c2ccc(O)cc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 6/20 0.56
▸ HTR2C P28335 6/20 0.56
▸ HTR2A P28223 5/20 0.56
▸ HTR2B P41595 5/20 0.56
▸ HTR1A P08908 4/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ MAPT P10636 4/20 0.56
▸ TSHR P16473 3/20 0.56
▸ NFKB1 P19838 3/20 0.56
▸ LMNA P02545 3/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ BLM P54132 3/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ PMP22 Q01453 2/20 0.56
▸ HTR7 P34969 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ ADORA3 P0DMS8 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ SLC6A4 P31645 1/20 0.56
▸ MTOR P42345 1/20 0.56

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
SCHEMBL28422454 0.86 NPSR1 (0.55) NPSR1HTR2CHTR2AHTR2BHTR1A
SCHEMBL11265914 0.84 F7 (0.54) HTR2AMAPTKMT2AMEN1PKM
SCHEMBL11263327 0.84 TSHR (0.52) HTR2CHTR2AHTR1AMAPTTSHR
SCHEMBL10562985 0.81 HTR2B (0.66) NPSR1HTR2CHTR2AHTR2BHTR1A
SCHEMBL1667862 0.81 NPSR1 (0.59) NPSR1HTR2CHTR2AHTR2BHTR1A
SCHEMBL11269915 0.81 MEN1 (0.68) HTR2CHTR2AHTR2BALDH1A1MAPT
SCHEMBL7292049 0.80 NPSR1 (0.55) NPSR1HTR2CHTR2AHTR2BHTR1A
Hydrochloric Acid SCHEMBL11193808 0.80 HTR2B (0.64) NPSR1HTR2CHTR2AHTR2BHTR1A
SCHEMBL2008740 0.80 TRPV1 (0.47) NPSR1HTR2CHTR2AHTR2BHTR1A
Water SCHEMBL10561845 0.80 HTR2B (0.64) NPSR1HTR2CHTR2AHTR2BHTR1A

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
EP-0057631-B1 ((INDOL-3-YL)-3-AMINO-2 PROPIONYLOXY)-2-ACETIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM PANMEDICA (FR) 1985-02-20 — — EP claimed
EP-0522082-A4 MULTI-FUNCTIONAL PHARMACEUTICAL COMPOUNDS AND METHODS OF USE — 1993-06-09 — — EP disclosed
EP-0522082-A1 MULTI-FUNCTIONAL PHARMACEUTICAL COMPOUNDS AND METHODS OF USE. GLASKY ALVIN J (US) 1993-01-13 — — EP disclosed
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