SCHEMBL9521685

SCHEMBL9521685

C#CCCCOc1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.50
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HRH2 P25021 4/20 0.47
HRH1 P35367 4/20 0.47
MMP2 P08253 3/20 0.47
MAOB P27338 2/20 0.46
MMP3 P08254 3/20 0.45
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
MAOA P21397 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
TBXAS1 P24557 1/20 0.44

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
SCHEMBL7384498 0.83 HRH3 (0.59) HRH3MAPTALDH1A1HRH2HRH1
SCHEMBL5519875 0.83 HRH3 (0.62) HRH3MAPTALDH1A1HRH2HRH1
SCHEMBL5526919 0.81 HRH3 (0.66) HRH3MAPTALDH1A1HRH2HRH1
SCHEMBL7387284 0.81 HRH3 (0.66) HRH3MAPTALDH1A1HRH2HRH1
SCHEMBL7983991 0.81 HRH3 (0.66) HRH3MAPTALDH1A1HRH2HRH1
SCHEMBL12408526 0.81 HRH3 (0.66) HRH3MAPTALDH1A1HRH2HRH1
SCHEMBL7986752 0.81 ALDH1A1 (0.66) HRH3MAPTALDH1A1HRH2HRH1
SCHEMBL920034 0.80 MAOB (0.44) MAOBCA12CA9MAOA
SCHEMBL25433144 0.78 DRD2 (0.53) ALDH1A1MAOBCA12CA9MAOA
SCHEMBL9786397 0.78 MAPT (0.50) MAPTALDH1A1MAOBCA12CA9

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-0523803-A1 1,2,4-Oxadiazolyl-phenoxy-alkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1993-01-20 EP disclosed
US-5175177-A 1,2,4-OXADIAZOLYL-PHENOXYALKYLISOXAZOLES AND THEIR USE AS ANTIVIRAL AGENTS STERLING DRUG INC. (US) 1992-12-29 US disclosed