Sugi Predict

Sugi Predict / Compounds / SCHEMBL8776161

SCHEMBL8776161

SCHEMBL8776161

N#CC1[C]Cc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.33
▸ HTR2C P28335 2/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ RET P07949 1/20 0.31
▸ HRH1 P35367 1/20 0.31

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
SCHEMBL5255386 0.73 HTR2A (0.31) HTR2A
SCHEMBL6613669 0.68 HTR2A (0.37) HTR2AHTR2CRETHRH1
SCHEMBL6763553 0.68 HTR2A (0.37) HTR2AHTR2CRETHRH1
SCHEMBL7472084 0.68 HTR2A (0.46) HTR2AHTR2CRETHRH1
SCHEMBL1415621 0.64 IDO1 (0.41) HTR2AHRH1
SCHEMBL29539739 0.64 IDO1 (0.41) HTR2AHRH1
SCHEMBL7469960 0.64 HTR2A (0.33) HTR2AHRH1
SCHEMBL7431326 0.64 GRIN2D (0.41) HTR2AHTR2CHTR2B
SCHEMBL1722308 0.64 GRIN2D (0.41) HTR2AHTR2CHTR2B
SCHEMBL7518024 0.64 RET (0.47) HTR2ARET

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
EP-0570263-B1 New alkene carboxylic acid derivatives, process for their preparation and pharmaceutic compositions containing them ADIR (FR) 1997-12-03 — — EP disclosed
EP-0570263-A1 New alkene carboxylic acid derivatives, process for their preparation and pharmaceutic compositions containing them ADIR ET COMPAGNIE (FR) 1993-11-18 — — EP disclosed