SCHEMBL9116439

SCHEMBL9116439

CC1CCCC1(O)C#Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.40
HRH3 Q9Y5N1 1/20 0.39
TRPA1 O75762 1/20 0.37

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
SCHEMBL15766010 0.95 GRM5 (0.39) GRM5HRH3
SCHEMBL15766073 0.80 GRM5 (0.42) GRM5HRH3
SCHEMBL3992638 0.73 CHRNA1 (0.41) GRM5HRH3
SCHEMBL3820096 0.72 CHRNA1 (0.43) GRM5HRH3
SCHEMBL22787406 0.71
SCHEMBL15641646 0.71 GRM5 (0.61) GRM5
SCHEMBL28350055 0.70 LMNA (0.46) GRM5
SCHEMBL9115267 0.70 LMNA (0.49) GRM5
SCHEMBL15766015 0.70 KDM4E (0.43) GRM5
SCHEMBL4368776 0.69 SLC6A4 (0.40) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5446203-A Synthesis of haloenones and aryl or alkyl substituted enones or alkenes NEW YORK UNIVERSITY (US) 1995-08-29 US disclosed
EP-0656878-A4 SYNTHESIS OF HALOENONES AND ARYL OR ALKYL SUBSTITUTED ENONES OR ALKENES. 1995-07-05 EP disclosed
EP-0656878-A1 SYNTHESIS OF HALOENONES AND ARYL OR ALKYL SUBSTITUTED ENONES OR ALKENES NEW YORK UNIVERSITY (US) 1995-06-14 EP disclosed
WO-1994005617-A1 SYNTHESIS OF HALOENONES AND ARYL OR ALKYL SUBSTITUTED ENONES OR ALKENES NEW YORK UNIVERSITY (US) 1994-03-17 WO disclosed