SCHEMBL8469405

SCHEMBL8469405

COc1ccc(CCCc2cc3cc(C#N)ccc3o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 6/20 0.48
HTR2C P28335 1/20 0.48
HRH3 Q9Y5N1 10/20 0.47
DRD2 P14416 2/20 0.45
CALM1 P0DP23 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
HTR1A P08908 1/20 0.40
KCNH2 Q12809 1/20 0.39

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
SCHEMBL7386620 0.86 GPR55 (0.47) HTR2BHRH3DRD2MAOAMAOB
SCHEMBL5032790 0.84 HRH3 (0.55) HTR2BHRH3KCNH2
SCHEMBL8469563 0.84 HTR2B (0.47) HTR2BHRH3KCNH2
SCHEMBL5034855 0.81 HRH3 (0.55) HRH3KCNH2
SCHEMBL5030411 0.80 HRH3 (0.54) HRH3KCNH2
SCHEMBL5225993 0.79 HRH3 (0.54) HRH3KCNH2
SCHEMBL5032985 0.78 HRH3 (0.58) HRH3KCNH2
SCHEMBL1313764 0.77 HRH3 (0.52) HRH3KCNH2
SCHEMBL8470899 0.76 APP (0.42) HRH3MAOAMAOBPTGES
SCHEMBL8470896 0.76 APP (0.42) HRH3MAOAMAOBPTGES

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