SCHEMBL8470899

SCHEMBL8470899

COc1ccc(C=CCc2cc3cc(C#N)ccc3o2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.42
HRH3 Q9Y5N1 2/20 0.40
SNCA P37840 1/20 0.38
MAPT P10636 2/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
PTGES O14684 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
CNR1 P21554 1/20 0.36
CASP1 P29466 1/20 0.36
CNR2 P34972 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL8470896 1.00 APP (0.42) APPHRH3SNCAMAPTMAOA
SCHEMBL7386620 0.79 GPR55 (0.47) HRH3MAOAMAOBCNR2
SCHEMBL8469405 0.76 HTR2B (0.48) HRH3MAOAMAOBPTGES
SCHEMBL7385698 0.76 MAOB (0.45) MAOAMAOB
SCHEMBL7385696 0.76 MAOB (0.45) MAOAMAOB
SCHEMBL176970 0.71 HRH3 (0.49) HRH3
SCHEMBL6489147 0.71 HRH3 (0.49) HRH3
SCHEMBL13079657 0.71 HRH3 (0.52) HRH3
SCHEMBL5032875 0.70 HRH3 (0.51) HRH3
SCHEMBL5032985 0.70 HRH3 (0.58) HRH3

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-5962695-A ANTICOAGULANT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5866577-A AN ANTICOAGULANT AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-02-02 US disclosed